SCHEMBL5222485

SCHEMBL5222485

O=[C]c1cccc([N+](=O)[O-])c1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
GPR35 Q9HC97 2/20 0.45
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLAU P00749 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
S100A4 P26447 1/20 0.40
VCAM1 P19320 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL16958511 0.83 TDP1 (0.46) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL5968 0.83 VCAM1 (0.54) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL1460867 0.81 TDP1 (0.61) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL25310 0.79 HSD17B10 (0.50) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL55225 0.78 GPR35 (0.55) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL3345170 0.78 TDP1 (0.48) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL10825048 0.77 TDP1 (0.47) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL5682648 0.77 GPR35 (0.67) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL5160633 0.77 TDP1 (0.67) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL28273550 0.77 TDP1 (0.47) TDP1GPR35TSHRALDH1A1SMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP claimed
EP-0816363-B1 1,2,3-Benzothiadiazole derivatives and their use as microbicides BAYER AGROCHEM KK (JP) 2001-10-17 EP claimed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US claimed
EP-1183256-B1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-08-22 EP disclosed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 EP disclosed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 WO disclosed
EP-0433163-A2 Process for the preparation of imidazobenzodiazepines and their salts ROUSSEL-UCLAF (FR) 1991-06-19 EP disclosed
US-4968797-A PRESSURE-COPYABLE THERMOREACTIVE AND ELECTROCHROMIC RECORDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP disclosed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP disclosed
EP-0116884-B1 NITRO-NAPHTHYLAMINE SULPHONIC ACIDS BAYER AG (DE) 1986-04-09 EP disclosed
EP-0116884-A1 Nitro-naphthylamine sulphonic acids BAYER AG (DE) 1984-08-29 EP disclosed
US-4167392-A Transfer printing process for hydrophilic fibrous material or blends of hydrophilic and synthetic fibrous material, with reactive disperse dyes CIBA-GEIGY AG (CH) 1979-09-11 US disclosed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US disclosed