SCHEMBL468314

SCHEMBL468314

Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TSHR P16473 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
CYP3A4 P08684 3/20 0.55
PDE2A O00408 1/20 0.53
PDE5A O76074 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
APEX1 P27695 1/20 0.53
PDE4A P27815 1/20 0.53
BLM P54132 1/20 0.53
PDE1B Q01064 1/20 0.53
PMP22 Q01453 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE7A Q13946 1/20 0.53
PDE1C Q14123 1/20 0.53
PDE7B Q9NP56 1/20 0.53
NT5E P21589 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL468316 1.00 ALDH1A1 (0.58) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL10530381 0.98 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL11406056 0.98 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4PDE2A
Water SCHEMBL10529340 0.98 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL11406058 0.98 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4PDE2A
Water SCHEMBL2833443 0.98 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4PDE2A
Hydrochloric Acid SCHEMBL11849567 0.98 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL30130468 0.87 ALDH1A1 (0.45) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL709336 0.86 ALDH1A1 (0.66) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL30165662 0.86 ALDH1A1 (0.66) ALDH1A1TSHRTDP1CYP3A4PDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 844 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702042-B Method for preparing CLT acid by using liquid-phase 6-chloro-3-nitrotoluene-4-sulfonic acid (CLT) in continuous hydrogenation reduction process NINGBO INST MAT TECH & ENG CAS 2015-04-29 CN claimed
CN-102702043-B Method for preparing CLT acid (6-chloro-3-nitrotoluene-4-sulfonic acid) by continuous hydrogenation reduction of 6-chloro-3-nitrotoluene-4-sulfonicacid liquid phase NINGBO INST MAT TECH & ENG CAS 2015-04-29 CN claimed
EP-2387557-B1 PROCESS FOR THE PREPARATION OF N-[5-(3-DIMETHYLAMINO-ACRYLOYL)-2-FLUORO-PHENYL]-N-METHYL-ACETAMIDE INTERQUIM SA (ES) 2013-06-19 EP claimed
EP-1132775-B1 Presensitized plate useful for preparing a lithographic printing plate FUJIFILM CORP (JP) 2010-11-03 EP claimed
EP-1548069-B1 Liquid formulations of direct dyes BASF SE (DE) 2010-08-04 EP claimed
WO-2009018368-A1 COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2009-02-05 WO claimed
EP-1824827-B1 METHOD FOR PRODUCING ONIUM SALTS COMPRISING ALKYL ANIONS OR ARYL SULFONATE ANIONS OR ALKYL ANIONS OR ARYL CARBOXYLATE ANIONS HAVING A LOW HALIDE CONTENT MERCK PATENT GMBH (DE) 2008-09-17 EP claimed
US-20080210900-A1 Selective Wet Etchings Of Oxides PNC BANK, NATIONAL ASSOCIATION 2008-09-04 US claimed
CN-101223632-A Selective wet etching of oxides SACHEM INC (US) 2008-07-16 CN claimed
US-7331998-B2 Liquid formulations of direct dyes BASF AKTIENGESELLSCHAFT (DE) 2008-02-19 US claimed
US-20050132510-A1 Liquid formulations of direct dyes BASF AKIENGESELLSCHAFT (DE) 2005-06-23 US claimed
US-6593054-B2 Comprises diazo resin, photopolymerizable resin, or photocrosslinkable resin; for increasing adhesion to aluminum substrate FUJI PHOTO FILM CO., LTD. (JP) 2003-07-15 US claimed
US-20020064726-A1 Presensitized plate useful for preparing a lithographic printing plate FUJIFILM CORPORATION (JP) 2002-05-30 US claimed
EP-1132775-A1 Presensitized plate useful for preparing a lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2001-09-12 EP claimed
US-6160169-A Preparation of amine salts of 4-nitrotoluene-2-sulfonic acid BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US claimed
EP-0443742-B1 Presensitized plate for use in making lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 1997-10-01 EP claimed
US-5476754-A Presensitized; hydrophilic surface on substrate; light sensitive layer containing alkaline water-soluble photocrosslinkable copolycondensed diazo resin FUJI PHOTO FILM CO., LTD. (JP) 1995-12-19 US claimed
EP-0443742-A2 Presensitized plate for use in making lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1991-08-28 EP claimed
US-4719051-A Process for the preparation of 4,4'-dinitrostilbene-2,2'-disulfonic acid and its salts CIBA-GEIGY CORPORATION (US) 1988-01-12 US claimed
US-4172729-A EXTENDED SHELF LIFE; LOWERED STAINING OF BACKGROUHD AREAS FUJI PHOTO FILM CO., LTD. (JP) 1979-10-30 US claimed