SCHEMBL27005708

SCHEMBL27005708

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.44
RET P07949 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
KDM1A O60341 15/20 0.42
GPR119 Q8TDV5 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL26695615 0.91 GPR119 (0.46) KDM4DRETKDM1AGPR119
SCHEMBL27005709 0.88 KDM4D (0.46) KDM4DRETALOX5APFEN1KDM1A
SCHEMBL27009740 0.87 KDM1A (0.54) KDM1A
SCHEMBL27005479 0.87 KDM1A (0.46) KDM4DRETALOX5APFEN1KDM1A
SCHEMBL27005837 0.86 ALOX5AP (0.42) KDM4DRETALOX5APFEN1KDM1A
SCHEMBL27005729 0.86 RET (0.42) KDM4DRETALOX5APFEN1KDM1A
SCHEMBL27005909 0.86 RET (0.43) KDM4DRETALOX5APFEN1KDM1A
SCHEMBL27005638 0.86 KDM1A (0.43) KDM4DRETALOX5APFEN1KDM1A
SCHEMBL27005900 0.86 RET (0.47) KDM4DRETALOX5APFEN1KDM1A
SCHEMBL26695564 0.85 KDM1A (0.46) KDM4DRETKDM1A

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