SCHEMBL27005479

SCHEMBL27005479

COc1ccc(-c2sc(C(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2-c2ccc(C#N)c(F)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.46
RET P07949 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
CFTR P13569 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 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
SCHEMBL27005518 0.98 KDM1A (0.47) KDM1ARETKDM4DCFTRSUV39H2
SCHEMBL27005513 0.96 CFTR (0.46) KDM1AKDM4DCFTRSUV39H2
SCHEMBL27005540 0.96 CFTR (0.46) KDM1AKDM4DCFTRSUV39H2
SCHEMBL27005538 0.93 KDM1A (0.44) KDM1AKDM4DCFTRSUV39H2
SCHEMBL27005709 0.91 KDM4D (0.46) KDM1ARETKDM4DALOX5APFEN1
SCHEMBL27005503 0.91 KDM1A (0.44) KDM1AKDM4DCFTRSUV39H2
SCHEMBL27005710 0.91 RET (0.42) KDM1ARETKDM4DCFTRALOX5AP
SCHEMBL27005923 0.90 RET (0.40) KDM1ARETKDM4DALOX5APFEN1
SCHEMBL27005638 0.89 KDM1A (0.43) KDM1ARETKDM4DALOX5APFEN1
SCHEMBL27006082 0.88 RET (0.43) KDM1ARETKDM4DALOX5APFEN1

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