SCHEMBL27005503

SCHEMBL27005503

COc1ccc(-c2sc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cc2-c2ccc(C#N)c(F)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.44
CFTR P13569 2/20 0.44
GPR119 Q8TDV5 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
SUV39H2 Q9H5I1 2/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL27005513 0.96 CFTR (0.46) KDM1ACFTRGPR119KDM4DSUV39H2
SCHEMBL27005540 0.96 CFTR (0.46) KDM1ACFTRGPR119KDM4DSUV39H2
SCHEMBL27005538 0.92 KDM1A (0.44) KDM1ACFTRKDM4DSUV39H2
SCHEMBL27005479 0.91 KDM1A (0.46) KDM1ACFTRKDM4DSUV39H2
SCHEMBL27005518 0.91 KDM1A (0.47) KDM1ACFTRKDM4DSUV39H2
SCHEMBL31492475 0.89 CFTR (0.43) KDM1ACFTRGPR119KDM4DSUV39H2
SCHEMBL27005612 0.89 KDM1A (0.45) KDM1AGPR119
SCHEMBL27005506 0.87 GPR119 (0.48) KDM1ACFTRGPR119
SCHEMBL26695615 0.86 GPR119 (0.46) KDM1ACFTRGPR119KDM4D
SCHEMBL27005025 0.86 KDM1A (0.50) 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