SCHEMBL7752841

SCHEMBL7752841

CCCCCCCCCCCCc1cc(-c2ccccc2)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TLR8 Q9NR97 2/20 0.39
LMNA P02545 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 2/20 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
SCHEMBL11762406 0.89 ADORA3 (0.42) CYP3A4MAPTKDM4EUSP2ALDH1A1
SCHEMBL38926 0.85 NPC1 (0.56) CYP3A4MAPTKDM4EUSP2ALDH1A1
SCHEMBL7649641 0.85 NPC1 (0.56) CYP3A4MAPTKDM4EUSP2ALDH1A1
SCHEMBL9628940 0.85 NPC1 (0.56) CYP3A4MAPTKDM4EUSP2ALDH1A1
SCHEMBL7577937 0.85 NPC1 (0.43) CYP3A4MAPTKDM4EUSP2ALDH1A1
SCHEMBL710157 0.85 NPC1 (0.56) CYP3A4MAPTKDM4EUSP2ALDH1A1
SCHEMBL10744136 0.85 NPC1 (0.56) CYP3A4MAPTKDM4EUSP2ALDH1A1
SCHEMBL709920 0.85 NPC1 (0.56) CYP3A4MAPTKDM4EUSP2ALDH1A1
SCHEMBL9628169 0.85 NPC1 (0.56) CYP3A4MAPTKDM4EUSP2ALDH1A1
SCHEMBL7241563 0.85 NPC1 (0.56) CYP3A4MAPTKDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001011056-A 2-(2'-HYDROXYPHENYL)-2H-BENZOTRIAZOLE BEARING LONG-CHAIN ALKYL GROUP AND PHENYL GROUP OSAKA SEIKA KOGYO KK 2001-01-16 JP disclosed