SCHEMBL27009508

SCHEMBL27009508

CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C#N)c(F)c3)c(-c3ccc(N4CC[C@H](O)C4)cc3)s2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.43
RET P07949 1/20 0.41
KDM4D Q6B0I6 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL27006721 1.00 KDM1A (0.43) KDM1ARETKDM4DSUV39H2GPR119
SCHEMBL27009893 0.94 KDM1A (0.45) KDM1ARETKDM4DSUV39H2ALOX5AP
SCHEMBL27009957 0.94 KDM1A (0.45) KDM1ARETKDM4DSUV39H2ALOX5AP
SCHEMBL27009297 0.93 KDM1A (0.43) KDM1ARETKDM4DALOX5APFEN1
SCHEMBL27010086 0.90 KDM1A (0.42) KDM1ARETKDM4DSUV39H2GPR119
SCHEMBL27005183 0.89 KDM1A (0.52) KDM1A
SCHEMBL27005427 0.89 KDM1A (0.52) KDM1A
SCHEMBL27005428 0.89 KDM1A (0.52) KDM1A
SCHEMBL27005433 0.89 KDM1A (0.52) KDM1A
SCHEMBL27005709 0.88 KDM4D (0.46) KDM1ARETKDM4DGPR119ALOX5AP

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