SCHEMBL8484282

SCHEMBL8484282

COc1ccc(C=NNc2nc(=O)[nH]c3[nH]cnc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.51
MMP10 P09238 1/20 0.49
MMP13 P45452 1/20 0.49
MAPT P10636 10/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
GAA P10253 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
TP53 P04637 1/20 0.45
LMNA P02545 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL8485562 0.87 MAPT (0.48) XDHMMP10MMP13MAPTNPC1
SCHEMBL8480626 0.85 XDH (0.48) XDHMAPTNPC1RAB9AGAA
SCHEMBL8482019 0.85 GAA (0.51) XDHMAPTNPC1RAB9AGAA
SCHEMBL8484747 0.85 NPC1 (0.51) XDHMAPTNPC1RAB9AGAA
SCHEMBL8484222 0.85 RAB9A (0.49) XDHMAPTNPC1RAB9AGAA
SCHEMBL8484216 0.85 RAB9A (0.49) XDHMAPTNPC1RAB9AGAA
SCHEMBL8485017 0.84 MAPT (0.49) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8484617 0.81 XDH (0.52) XDHMAPTNPC1RAB9AGAA
SCHEMBL8480596 0.77 MAPT (0.56) MMP10MMP13MAPTNPC1RAB9A
SCHEMBL8485128 0.77 SMN1; SMN2 (0.53) XDHMMP10MMP13MAPTNPC1

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