SCHEMBL8480596

SCHEMBL8480596

COc1ccc(C=NNc2nc(Cl)nc3[nH]cnc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
GAA P10253 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
PKM P14618 2/20 0.56
TP53 P04637 1/20 0.46
LMNA P02545 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MMP10 P09238 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
SCHEMBL8481591 0.87 NPC1 (0.55) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8485128 0.86 SMN1; SMN2 (0.53) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8484763 0.84 RAB9A (0.53) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8480872 0.84 RAB9A (0.53) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8484614 0.84 MAPT (0.51) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8484610 0.84 MAPT (0.51) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8487763 0.84 NOX3 (0.51) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8484425 0.80 MAPT (0.48) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL31576451 0.78 NPC1 (0.48) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL30677381 0.78 NPC1 (0.48) MAPTNPC1RAB9AGAASMN1; 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