SCHEMBL904159

SCHEMBL904159

Bc1ccc(S(C)(=O)=O)nc1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.34
GPR119 Q8TDV5 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL10133871 0.78 NOS3 (0.43) LOXGPR119MBOAT4KDM4EALDH1A1
SCHEMBL945673 0.75 G6PD (0.36) LOXGPR119MBOAT4KDM4EALDH1A1
SCHEMBL13076453 0.75 GPR119 (0.32) LOXGPR119MBOAT4KDM4EALDH1A1
SCHEMBL27935105 0.75 GPR119 (0.32) LOXGPR119MBOAT4KDM4EALDH1A1
SCHEMBL541733 0.75 ENPP2 (0.35) LOXGPR119MBOAT4KDM4EALDH1A1
SCHEMBL2334782 0.75 RAB9A (0.35) LOXGPR119MBOAT4KDM4EALDH1A1
SCHEMBL3792466 0.75 LOX (0.41) LOXGPR119MBOAT4KDM4EALDH1A1
SCHEMBL10116156 0.72 GPR119 (0.36) GPR119ALDH1A1
SCHEMBL19454534 0.72 GAA (0.34) GPR119KDM4EALDH1A1GAA
SCHEMBL2616448 0.72 ALDH1A1 (0.34) GPR119ALDH1A1GAA

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-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed