SCHEMBL27010086

SCHEMBL27010086

CC1(O)CN(c2ccc(-c3sc(C(=O)N4CCC[C@@H](NC(=O)OC(C)(C)C)C4)cc3-c3ccc(C#N)c(F)c3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.42
RET P07949 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
F10 P00742 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.36

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
SCHEMBL27006335 0.92 KDM1A (0.42) KDM1ARETGPR119KDM4DALOX5AP
SCHEMBL27006721 0.90 KDM1A (0.43) KDM1ARETGPR119KDM4DALOX5AP
SCHEMBL27009508 0.90 KDM1A (0.43) KDM1ARETGPR119KDM4DALOX5AP
SCHEMBL27005456 0.89 KDM1A (0.52) KDM1A
SCHEMBL27005193 0.89 KDM1A (0.52) KDM1A
SCHEMBL27005709 0.87 KDM4D (0.46) KDM1ARETGPR119KDM4DALOX5AP
SCHEMBL27005837 0.86 ALOX5AP (0.42) KDM1ARETGPR119KDM4DALOX5AP
SCHEMBL27010455 0.86 GPR119 (0.42) KDM1ARETGPR119
SCHEMBL27005479 0.86 KDM1A (0.46) KDM1ARETKDM4DALOX5APFEN1
SCHEMBL27005455 0.85 KDM1A (0.49) KDM1A

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
EP-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed