SCHEMBL27009752

SCHEMBL27009752

Cc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(N3CCCC3)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
KDM1A O60341 13/20 0.41
EGLN2 Q96KS0 1/20 0.40
PTGS2 P35354 1/20 0.37

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
SCHEMBL27009856 0.91 CYP11B1 (0.43) CYP11B1CYP11B2KDM1A
SCHEMBL27010074 0.85 KDM1A (0.37) CYP11B1CYP11B2KDM1AEGLN2PTGS2
SCHEMBL27009402 0.84 AR (0.48) KDM1A
SCHEMBL27009932 0.78 AR (0.48) KDM1A
SCHEMBL27005050 0.77 ESR1 (0.48) CYP11B1CYP11B2
SCHEMBL27005607 0.75 KDM1A (0.47) CYP11B1CYP11B2KDM1A
SCHEMBL27008961 0.75 KDM1A (0.42) KDM1A
SCHEMBL27005774 0.75 KDM1A (0.48) CYP11B1CYP11B2KDM1APTGS2
SCHEMBL27005844 0.74 CYP11B1 (0.45) CYP11B1CYP11B2EGLN2
SCHEMBL30895187 0.74 CYP11B1 (0.51) CYP11B1CYP11B2KDM1AEGLN2

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