SCHEMBL9408764

SCHEMBL9408764

CC(C)(C)c1cc(CN)c(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CCR9 P51686 2/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
HSD17B2 P37059 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KCNH2 Q12809 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
SCHEMBL20592414 0.90 NPC1 (0.39) NPC1RAB9AATMKDM4EMAPT
SCHEMBL19119905 0.89 NPC1 (0.39) NPC1RAB9AATMKDM4EMAPT
SCHEMBL28641188 0.89 NPC1 (0.39) NPC1RAB9AATMKDM4EMAPT
SCHEMBL9408834 0.86 NPC1 (0.45) NPC1RAB9AATMKDM4EMAPT
SCHEMBL9408785 0.84 NPC1 (0.52) NPC1RAB9AATMKDM4EMAPT
SCHEMBL20591060 0.84 NPC1 (0.40) NPC1RAB9AATMKDM4EMAPT
SCHEMBL5809113 0.84 NPC1 (0.45) NPC1RAB9AATMKDM4EMAPT
SCHEMBL29814540 0.84 NPC1 (0.45) NPC1RAB9AATMKDM4EMAPT
SCHEMBL9408770 0.83 EPHX2 (0.36) NPC1RAB9AMAPTCYP2C19CYP1A2
SCHEMBL29349567 0.83 NPC1 (0.41) NPC1RAB9AATMKDM4EMAPT

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
EP-0593936-A1 N-[2-hydroxy-3-(2H-benzotriazol-2-yl)benzyl]oxamides as light stabilisers ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-27 EP disclosed