SCHEMBL27005472

SCHEMBL27005472

COc1ccc(-c2sc(C(=O)N3CCCCC3)cc2-c2ccc(C#N)c(F)c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.50
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
BRD4 O60885 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL27005514 1.00 KDM1A (0.50) KDM1ACYP11B1CYP11B2BRD4BRD9
SCHEMBL27005539 0.99 KDM1A (0.51) KDM1ACYP11B1CYP11B2BRD4BRD9
SCHEMBL27004944 0.91 KDM1A (0.61) KDM1ACYP11B1CYP11B2
SCHEMBL27004945 0.91 KDM1A (0.56) KDM1A
SCHEMBL27016696 0.91 KDM1A (0.52) KDM1ACYP11B1CYP11B2
SCHEMBL27005025 0.90 KDM1A (0.50) KDM1A
SCHEMBL27005232 0.90 KDM1A (0.59) KDM1A
SCHEMBL27005231 0.90 KDM1A (0.59) KDM1A
SCHEMBL27004966 0.90 KDM1A (0.59) KDM1A
SCHEMBL27004941 0.89 KDM1A (0.57) 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