SCHEMBL9182116

SCHEMBL9182116

CC(C)(C)c1cc(-n2nc3ccccc3[n+]2[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
HSP90AA1 P07900 1/20 0.33
ALOX5 P09917 2/20 0.32
PTGS2 P35354 2/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
F2R P25116 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL7525387 0.91 NPC1 (0.37) NPC1RAB9ACYP3A4CYP2C9CYP2C19
SCHEMBL9178544 0.88 SMN1; SMN2 (0.41) NPC1RAB9ACYP2C9CYP2C19TSHR
SCHEMBL6861439 0.87 NPC1 (0.35) NPC1RAB9A
SCHEMBL6860613 0.85 CYP3A4 (0.35) NPC1RAB9ACYP3A4CYP2C9CYP2C19
SCHEMBL9176034 0.85 NPC1 (0.41) NPC1RAB9ATSHRMEN1MAPT
SCHEMBL9460463 0.85 NPC1 (0.38) NPC1RAB9ACYP3A4
SCHEMBL9178179 0.85 HSP90AA1 (0.32) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL7085958 0.84 NPC1 (0.37) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL9621856 0.84 NPC1 (0.42) NPC1RAB9ATSHRNPSR1
SCHEMBL9717672 0.80 NR5A2 (0.34) CYP3A4CYP2C9CYP2C19CYP1A2TSHR

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 11 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
EP-0263905-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-04-15 EP disclosed
US-5104992-A METHOD OF PREPARING 2-PHENYL BENEZOTHRIAZOLES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-04-14 US disclosed
EP-0259530-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA LTD (JP) 1992-04-08 EP 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
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
US-4780541-A Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-10-25 US disclosed
EP-0263905-A1 Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-04-20 EP disclosed
EP-0257151-A1 Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-03-02 EP disclosed