SCHEMBL9621689

SCHEMBL9621689

Cc1ccc(C(C)c2ccccc2O)c(-n2nc3ccccc3[n+]2[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASR P41180 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9621831 0.84 ALDH1A1 (0.37) NPC1RAB9ALMNAKMT2AKDM4E
SCHEMBL7081592 0.82 NPC1 (0.56) NPC1RAB9ALMNAKMT2AKDM4E
SCHEMBL9179117 0.76 NPC1 (0.42) NPC1RAB9ALMNATSHRPOLB
SCHEMBL11729209 0.73 RAB9A (0.47) NPC1RAB9ALMNAKMT2AKDM4E
SCHEMBL9460248 0.72 NPC1 (0.48) NPC1RAB9ALMNAKMT2AKDM4E
SCHEMBL9178544 0.70 SMN1; SMN2 (0.41) NPC1RAB9ALMNAKMT2ATSHR
SCHEMBL9180997 0.69 NPC1 (0.43) NPC1RAB9ALMNAKMT2AKDM4E
SCHEMBL11345397 0.69 NPC1 (0.62) NPC1RAB9ALMNAKMT2AKDM4E
SCHEMBL3285209 0.68 NPC1 (0.65) NPC1RAB9AKMT2AKDM4ETSHR
SCHEMBL11881991 0.68 LMNA (0.48) NPC1RAB9ALMNAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263905-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-04-15 EP 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-0263905-A1 Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-04-20 EP disclosed
EP-0259530-A1 Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1988-03-16 EP disclosed