SCHEMBL816303

SCHEMBL816303

O=c1[nH][s+]([O-])c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.35
PARP1 P09874 7/20 0.34
GPR3 P46089 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TNKS O95271 1/20 0.34
CYP1A2 P05177 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
PARP15 Q460N3 1/20 0.34

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
SCHEMBL5974418 0.68 ALDH1A1 (0.43) ALDH1A1PARP1
SCHEMBL472592 0.65 ALDH1A1 (0.41) KDM4EALDH1A1LMNAHTTGLA
SCHEMBL1760652 0.64 PARP1 (0.31) KDM4EALDH1A1LMNAHTTGLA
SCHEMBL205562 0.63 CYP2A6 (0.33) ALDH1A1GPR3HSD17B10CYP1A2
SCHEMBL30286606 0.63 CYP2A6 (0.33) ALDH1A1GPR3HSD17B10CYP1A2
SCHEMBL29766 0.59 ALOX5 (0.70) KDM4EALDH1A1LMNAHTTGLA
SCHEMBL29349675 0.59 ALOX5 (0.70) KDM4EALDH1A1LMNAHTTGLA
SCHEMBL13326153 0.59 ALDH1A1 (0.39) KDM4EALDH1A1LMNAHTTGLA
SCHEMBL3142984 0.59 ALDH1A1 (0.39) KDM4EALDH1A1LMNAHTTGLA
SCHEMBL31438327 0.57 ALOX5 (0.67) KDM4EALDH1A1LMNAHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986879-A1 FUSED 1,2 THIAZOLES AND 1,2 THIAZINES WHICH ACT AS NL3P3 MODULATORS AC Immune SA (CH) 2022-04-27 EP disclosed
US-20140114020-A1 POLYMER EMULSION AND AQUEOUS INKJET RECORDING LIQUID CONTAINING SAID POLYMER EMULSION TOYO INK SC HOLDINGS CO., LTD (JP) 2014-04-24 US disclosed
EP-2377893-B1 POLYMER EMULSION AND AQUEOUS INKJET RECORDING LIQUID CONTAINING SAID POLYMER EMULSION TOYO INK SC HOLDINGS CO LTD (JP) 2013-11-06 EP disclosed
US-20110275754-A1 POLYMER EMULSION AND AQUEOUS INKJET RECORDING LIQUID CONTAINING SAID POLYMER EMULSION TOYO INK SC HOLDINGS CO., LTD (JP) 2011-11-10 US disclosed
EP-2377893-A1 POLYMER EMULSION AND AQUEOUS INKJET RECORDING LIQUID CONTAINING SAID POLYMER EMULSION Toyo Ink SC Holdings Co., Ltd. (JP) 2011-10-19 EP disclosed
JP-2011162465-A METHOD FOR PRODUCING BENZOISOTHIAZOLINONE-1-OXIDE COMPOUND NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE & TECHNOLOGY 2011-08-25 JP disclosed
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed
JP-2005179309-A PREPARATION METHOD FOR 1,2-BENZOISOTHIAZOLIN-3-ONE-1-OXIDE COMPOUND NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY 2005-07-07 JP disclosed
EP-0633260-B1 2,3-Dihydro-1,4-benzodioxan-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INT RES (NL) 2001-11-07 EP disclosed
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
EP-0753514-A1 ALKYLENEDIAMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-01-15 EP disclosed
US-5462942-A 2,3-dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT 1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-10-31 US disclosed
EP-0633260-A1 2,3-Dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-01-11 EP disclosed
EP-0631723-A1 Protection of isothiazolinone biocides from free radicals ZENECA INC. (US) 1995-01-04 EP disclosed
US-5373016-A 3,3-dithiopropionic acid ZENECA, INC. (US) 1994-12-13 US disclosed
US-4942234-A ANTIANXIETY AGENTS WITH FEW SIDE EFFECTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-07-17 US disclosed
US-4833249-A ANXIOLITIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-23 US disclosed
US-3951997-A ANTIINFLAMMATORY, ANALGESIC WARNER-LAMBERT COMPANY (US) 1976-04-20 US disclosed