SCHEMBL114441

SCHEMBL114441

O=[N+]([O-])[C](c1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CTSD P07339 1/20 0.50
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL10589175 0.80 PRMT1 (0.52) ALDH1A1MAPTTDP1TSHRPOLB
SCHEMBL27637513 0.79 ALDH1A1 (0.59) ALDH1A1CTSDMAPTTDP1GAA
SCHEMBL411359 0.79 ALDH1A1 (0.59) ALDH1A1CTSDMAPTTDP1GAA
SCHEMBL28085190 0.79 ALDH1A1 (0.50) ALDH1A1CTSDMAPTTDP1GAA
SCHEMBL20987678 0.79 ALDH1A1 (0.63) ALDH1A1CTSDMAPTTDP1GAA
Benzoic Acid SCHEMBL6556466 0.78 TSHR (0.59) ALDH1A1CTSDMAPTTDP1GAA
SCHEMBL3279313 0.78 TSHR (0.54) ALDH1A1CTSDMAPTTDP1GAA
Water SCHEMBL4951772 0.78 ALDH1A1 (0.58) ALDH1A1CTSDMAPTTDP1GAA
SCHEMBL28783981 0.78 ALDH1A1 (0.58) ALDH1A1CTSDMAPTTDP1GAA
SCHEMBL1615014 0.78 CES2 (0.69) ALDH1A1CTSDMAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2037762-A4 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S H L (US) 2009-07-08 EP claimed
EP-2037762-A1 METHOD TO PREPARE PURE CURCUMIN Kim, Darrick S.H.L. (US) 2009-03-25 EP claimed
WO-2007143635-A1 METHOD TO PREPARE PURE CURCUMIN KIM DARRICK S (US) 2007-12-13 WO claimed
EP-4396354-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF Wave Life Sciences Ltd. (SG) 2024-07-10 EP disclosed
CN-111936136-B Novel imidazopyrimidine compounds and uses thereof 儿童医学中心公司 2024-07-05 CN disclosed
WO-2024130218-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
WO-2024130217-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-118139977-A Double-stranded oligonucleotide compositions and methods relating thereto 波涛生命科学有限公司 2024-06-04 CN disclosed
WO-2000008044-A1 2'-O-AMINOETHYLOXYETHYL-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2000-02-17 WO disclosed
WO-1999066063-A2 NUCLEOSIDIC AND NON-NUCLEOSIDIC FOLATE CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1999-12-23 WO disclosed
WO-1999014185-A1 COMPOUNDS CONTAINING SIX-MEMBERED RINGS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GILEAD SCIENCES, INC. (US) 1999-03-25 WO disclosed
WO-1999004789-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 1999-02-04 WO disclosed
WO-1997026873-A1 ANTIMICROBIAL AURONE DERIVATIVES PHYTERA, INC. (US) 1997-07-31 WO disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
EP-0541042-A1 2,4- and 2,5-pyridine-dicarboxylic acid derivatives, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed