SCHEMBL13951016

SCHEMBL13951016

Cc1c(B(O)O)sc2cc(N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MMP12 P39900 1/20 0.34
▸ CASP1 P29466 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ KEAP1 Q14145 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ TP53 P04637 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ GLA P06280 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ CA2 P00918 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30

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
SCHEMBL29956540 0.76 ENPP2 (0.38) ALDH1A1ENPP2CYP2A6
SCHEMBL4195351 0.76 ENPP2 (0.38) ALDH1A1ENPP2CYP2A6
SCHEMBL29953730 0.74 MAPT (0.46) ALDH1A1MAPTCASP1KDM4EGAA
SCHEMBL29952476 0.71 NPSR1 (0.35) ALDH1A1MAPTHPGDKDM4ECA2
SCHEMBL5096663 0.70 ROCK1 (0.50) MAPTKDM4ECYP2A6
SCHEMBL30785527 0.70 MAPT (0.78) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL30267589 0.70 MAPT (0.78) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL204571 0.70 MAPT (0.78) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL29951054 0.69 CYP17A1 (0.38) MAPT
SCHEMBL12431299 0.69 PFKFB3 (0.38) SMN1; SMN2MAPTTSHRTP53CA2

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-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 — — WO disclosed
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