SCHEMBL9869161

SCHEMBL9869161

CSc1c(C)[nH]c2cc(O)ccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.53
▸ GAA P10253 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ GLA P06280 1/20 0.53
▸ GLI1 P08151 1/20 0.41
▸ GLI2 P10070 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ CASP1 P29466 3/20 0.38
▸ CASP7 P55210 3/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL6225217 0.81 LMNA (0.51) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL9868548 0.76 SMN1; SMN2 (0.43) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL29958428 0.75 GAA (0.63) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL29958262 0.75 GAA (0.63) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL5193988 0.72 KDM4E (0.56) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL31498190 0.72 KDM4E (0.56) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL10481567 0.72 KDM4E (0.50) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL11664527 0.69 KIF11 (0.48) MAPTSMN1; SMN2RXFP1
SCHEMBL592109 0.69 KDM4E (1.00) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL29532206 0.69 KDM4E (1.00) KDM4EGAAALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991002724-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-03-07 — — WO disclosed
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