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SCHEMBL27008751

SCHEMBL27008751

CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C#N)c(F)c3)c(-c3cc4cn([C@H]5COCC[C@@H]5O)nc4cc3F)s2)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 17/20 0.39
▸ KDM4D Q6B0I6 1/20 0.37
▸ RET P07949 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 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
SCHEMBL27007510 0.94 KDM1A (0.41) KDM1AKDM4DRETALOX5APFEN1
SCHEMBL27005385 0.88 KDM1A (0.46) KDM1A
SCHEMBL27005148 0.88 KDM1A (0.46) KDM1A
SCHEMBL27005386 0.88 KDM1A (0.46) KDM1A
SCHEMBL27006130 0.86 KDM1A (0.42) KDM1AKDM4DRETALOX5APFEN1
SCHEMBL27006047 0.86 KDM1A (0.43) KDM1AKDM4DRETALOX5APFEN1
SCHEMBL27008922 0.83 KDM1A (0.42) KDM1AKDM4DRETALOX5APFEN1
SCHEMBL27006140 0.83 KDM1A (0.42) KDM1AKDM4DRETALOX5APFEN1
SCHEMBL27006056 0.82 KDM1A (0.46) KDM1AKDM4DRETALOX5APFEN1
SCHEMBL27005767 0.82 KDM1A (0.52) KDM1AKDM4DRETALOX5APFEN1

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