SCHEMBL9182173

SCHEMBL9182173

CCC(C)c1cc(C(C)(C)C)cc(N=Nc2ccc(C(C)(C)C)cc2[N+](=O)[O-])c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
MAPK1 P28482 6/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GPR35 Q9HC97 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GLA P06280 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 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
SCHEMBL9182170 1.00 RORC (0.40) RORCMAPK1ALDH1A1MAPTGAA
SCHEMBL9269874 0.91 PSEN1 (0.36) RORCMAPK1ALDH1A1MAPTGAA
SCHEMBL9269877 0.91 PSEN1 (0.36) RORCMAPK1ALDH1A1MAPTGAA
SCHEMBL9260980 0.89 PTPN11 (0.40) RORCMAPK1MAPTGPR35NPC1
SCHEMBL5186248 0.89 PTPN11 (0.40) RORCMAPK1MAPTGPR35NPC1
SCHEMBL11876698 0.89 MEN1 (0.40) RORCMAPK1ALDH1A1MAPTGAA
SCHEMBL9180508 0.87 RORC (0.33) RORCMAPK1ALDH1A1MAPTGAA
SCHEMBL9180516 0.87 RORC (0.33) RORCMAPK1ALDH1A1MAPTGAA
SCHEMBL14413568 0.75 TSHR (0.43) RORCMAPK1ALDH1A1MAPTNPC1
SCHEMBL5186793 0.75 TSHR (0.43) RORCMAPK1ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380840-B1 Method of preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA LTD (JP) 1995-05-17 EP disclosed
US-5187289-A Method of preparing 2-phenyl benzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1993-02-16 US disclosed
US-5104992-A METHOD OF PREPARING 2-PHENYL BENEZOTHRIAZOLES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-04-14 US disclosed
EP-0257151-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-01-29 EP disclosed
EP-0380840-A1 Method of preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1990-08-08 EP disclosed
EP-0380839-A1 Method of preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1990-08-08 EP disclosed
US-4943637-A Method for preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1990-07-24 US disclosed
US-4835284-A Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1989-05-30 US disclosed