SCHEMBL3237662

SCHEMBL3237662

COc1cccc(-c2ccc(OCc3ccccn3)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2B Q13224 2/20 0.54
AURKB Q96GD4 1/20 0.50
INCENP Q9NQS7 1/20 0.50
ABCB1 P08183 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46

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
SCHEMBL13575386 0.79 HSD17B1 (0.67) HSD17B1HSD17B2DYRK1ACLK4PDGFRB
SCHEMBL3243566 0.79 KDM4E (0.51) SYKAURKBINCENPSMN1; SMN2HSD17B1
SCHEMBL3238335 0.78 MAOB (0.48) ABCB1HTR1ADRD2SMN1; SMN2HSD17B1
SCHEMBL3249369 0.78 SYK (0.64) SYKAURKBINCENP
SCHEMBL791890 0.78 FFAR1 (0.61) SYKAURKBINCENPABCB1HTR1A
SCHEMBL23406003 0.76 GRM5 (0.48) SYKAURKBINCENPSMN1; SMN2GABRA5
SCHEMBL29744012 0.76 GRM5 (0.48) SYKAURKBINCENPSMN1; SMN2GABRA5
SCHEMBL29942020 0.74 BACE1 (0.66) SYKGRIN1GRIN2BABCB1HTR1A
SCHEMBL3244498 0.73 RAB9A (0.49) SYKAURKBINCENPNPC1RAB9A
SCHEMBL6684242 0.73 SYK (0.52) SYKAURKBINCENPSMN1; 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 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