SCHEMBL3249369

SCHEMBL3249369

COc1ccccc1-c1ccc(OCc2ccccn2)nc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.64
AURKB Q96GD4 3/20 0.64
INCENP Q9NQS7 3/20 0.64
GRM5 P41594 3/20 0.49
FYN P06241 1/20 0.47
CHRNA7 P36544 1/20 0.47
AVPR2 P30518 1/20 0.45
OXTR P30559 1/20 0.45
AVPR1A P37288 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
SCHEMBL3241833 0.82 GRM5 (0.48) SYKAURKBINCENPGRM5CHRNA7
SCHEMBL13575392 0.81 L3MBTL1 (0.60) FYNAVPR2OXTRAVPR1A
SCHEMBL3245556 0.79 KDM4E (0.47) SYKAURKBINCENPGRM5
SCHEMBL23406003 0.79 GRM5 (0.48) SYKAURKBINCENPGRM5
SCHEMBL29744012 0.79 GRM5 (0.48) SYKAURKBINCENPGRM5
SCHEMBL3237662 0.78 SYK (0.54) SYKAURKBINCENP
SCHEMBL13661860 0.75 SYK (0.54) SYKAURKBINCENPGRM5
SCHEMBL1528197 0.74 HSD17B10 (0.53) SYKAURKBINCENPCHRNA7
SCHEMBL28039454 0.73 SYK (0.77) SYKAURKBINCENP
SCHEMBL3645148 0.73 GABRA5 (0.59)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed