SCHEMBL27010074

SCHEMBL27010074

Cc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(N3CC(C)(O)C3)cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.37
EPAS1 Q99814 1/20 0.37
CYP11B1 P15538 6/20 0.36
CYP11B2 P19099 6/20 0.36
SOS1 Q07889 2/20 0.35
PTGS2 P35354 1/20 0.34
JAK2 O60674 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
EGLN2 Q96KS0 2/20 0.34

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
SCHEMBL27009752 0.85 CYP11B1 (0.45) KDM1ACYP11B1CYP11B2PTGS2EGLN2
SCHEMBL27009402 0.81 AR (0.48) KDM1A
SCHEMBL27005455 0.77 KDM1A (0.49) KDM1A
SCHEMBL27005190 0.77 KDM1A (0.49) KDM1A
SCHEMBL27009856 0.77 CYP11B1 (0.43) KDM1ACYP11B1CYP11B2
SCHEMBL27005050 0.76 ESR1 (0.48) EPAS1CYP11B1CYP11B2
SCHEMBL27009932 0.73 AR (0.48) KDM1A
SCHEMBL27005607 0.72 KDM1A (0.47) KDM1ACYP11B1CYP11B2
SCHEMBL27005774 0.72 KDM1A (0.48) KDM1AEPAS1CYP11B1CYP11B2PTGS2
SCHEMBL27005844 0.71 CYP11B1 (0.45) CYP11B1CYP11B2EGLN2

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