SCHEMBL8484763

SCHEMBL8484763

Oc1ccc(C=NNc2nc(Cl)nc3[nH]cnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
NPC1 O15118 9/20 0.53
GAA P10253 6/20 0.53
PKM P14618 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 8/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 6/20 0.44
HTT P42858 2/20 0.43
CTH P32929 1/20 0.41
MEN1 O00255 5/20 0.40
LMNA P02545 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ATM Q13315 1/20 0.39
GFER P55789 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL8481591 0.90 NPC1 (0.55) RAB9ANPC1GAAPKMSMN1; SMN2
SCHEMBL8480872 0.88 RAB9A (0.53) RAB9ANPC1GAAPKMSMN1; SMN2
SCHEMBL8484610 0.87 MAPT (0.51) RAB9ANPC1GAAPKMSMN1; SMN2
SCHEMBL8484614 0.87 MAPT (0.51) RAB9ANPC1GAAPKMSMN1; SMN2
SCHEMBL8487763 0.84 NOX3 (0.51) RAB9ANPC1GAAPKMSMN1; SMN2
SCHEMBL8480596 0.84 MAPT (0.56) RAB9ANPC1GAAPKMSMN1; SMN2
SCHEMBL8484425 0.82 MAPT (0.48) RAB9ANPC1GAAPKMSMN1; SMN2
SCHEMBL31576451 0.79 NPC1 (0.48) RAB9ANPC1GAAPKMSMN1; SMN2
SCHEMBL30677381 0.79 NPC1 (0.48) RAB9ANPC1GAAPKMSMN1; SMN2
SCHEMBL8484488 0.78 NPC1 (0.50) RAB9ANPC1GAAPKMSMN1; SMN2

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
US-5990118-A NOVEL PURINE COMPOUNDS AND TRIAZOLOPURINE COMPOUNDS WHICH INHIBIT XANTHINE OXIDASE; REMEDIES FOR HYPERURICEMIA, AND AS PREVENTIVE AND THERAPEUTIC AGENTS FOR GOUT YAMASA CORPORATION (JP) 1999-11-23 US disclosed
EP-0811624-A1 PURINE COMPOUNDS AND XANTHINE OXIDASE INHIBITORS YAMASA CORPORATION (JP) 1997-12-10 EP disclosed