SCHEMBL7568491

SCHEMBL7568491

CC(O)Cc1cc(Cc2cc(CC(C)O)cc(-n3nc4ccc(Cl)cc4n3)c2O)c(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HIF1A Q16665 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
SLC22A1 O15245 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSPD1 P10809 1/20 0.31
HSPA5 P11021 1/20 0.31
IDO1 P14902 1/20 0.31
HPGD P15428 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
SCHEMBL7564694 0.87 NPC1 (0.35) NPC1RAB9A
SCHEMBL7566053 0.87 NPC1 (0.44) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL75316 0.82 NPC1 (0.36) NPC1RAB9AHIF1ACYP2C9CYP2C19
SCHEMBL27623464 0.82 RAB9A (0.42) NPC1RAB9AHIF1ACYP2C9CYP2C19
SCHEMBL7737494 0.81 NPC1 (0.31) NPC1RAB9ARXFP1MAPTTP53
SCHEMBL27929913 0.81 NPC1 (0.36) NPC1RAB9ARXFP1MAPTTP53
SCHEMBL15910157 0.80 NPC1 (0.55) NPC1RAB9AHIF1ACYP2C9CYP2C19
SCHEMBL74862 0.80 NPC1 (0.35) NPC1RAB9AHIF1ACYP2C9CYP2C19
SCHEMBL195720 0.80 NPC1 (0.36) NPC1RAB9ARXFP1MAPTTP53
SCHEMBL29400095 0.80 NPC1 (0.36) NPC1RAB9ARXFP1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855393-B1 BISBENZOTRIAZOLYLPHENOLS OTSUKA KAGAKU KK (JP) 2002-08-14 EP claimed
US-5922882-A ULTRAVIOLET RADIATION ABSORBER; COPOLYMERIZATION COMPONENT OF BISBENZOTRIAZOLE COMPRISING A COPOLYCARBONATE, A COPOLYESTER, A COPOLYURETHANE AND A COPOLYURETHANEURA OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-07-13 US disclosed