SCHEMBL22816367

SCHEMBL22816367

COc1ccc(Cl)c(OCc2ccc(F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.59
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCB1 P08183 2/20 0.46
APP P05067 1/20 0.45
FFAR1 O14842 1/20 0.45
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL22816274 0.82 MAOB (0.59) MAOBNPC1RAB9ASMN1; SMN2ABCB1
SCHEMBL22817113 0.81 MAOB (0.49) MAOBNPC1RAB9AAPPMRGPRX4
SCHEMBL23484500 0.80 HDAC8 (0.47) MAOBNPC1RAB9ASMN1; SMN2KDM5A
SCHEMBL1028659 0.79 HTR2A (0.47) NPC1RAB9ASMN1; SMN2NFE2L2
SCHEMBL544520 0.79 APP (0.61) MAOBNPC1RAB9AABCB1APP
SCHEMBL14777550 0.79 NPC1 (0.51) MAOBNPC1RAB9ASMN1; SMN2ABCB1
SCHEMBL190649 0.79 MAOB (0.51) MAOBNPC1RAB9AAPP
SCHEMBL30313237 0.79 APP (0.61) MAOBNPC1RAB9AABCB1APP
SCHEMBL15777881 0.78 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM5AKDM4C
SCHEMBL17050818 0.78 MRGPRX4 (0.60) MAOBNPC1RAB9ASMN1; SMN2ABCB1

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
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed