SCHEMBL11670613

SCHEMBL11670613

CCCC[S+]([O-])c1ccc(C#N)nc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL21515192 0.84 AR (0.34) AR
SCHEMBL2743640 0.78 MAPT (0.36)
SCHEMBL11671275 0.73 KDM4E (0.31) KDM4EL3MBTL1
SCHEMBL11670927 0.72 KDM4E (0.54) KDM4EALDH1A1HTTL3MBTL1
SCHEMBL15149654 0.70 KDM4E (0.50) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL10465159 0.69 L3MBTL1 (0.50) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL11671025 0.69 MAPK1 (0.48) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL2760434 0.68 CYP2A6 (0.48) KDM4EALDH1A1HPGDL3MBTL1AR
SCHEMBL7289270 0.68 ESR1 (0.44) KDM4EALDH1A1
SCHEMBL6321020 0.68 HTT (0.35) ALDH1A1HPGDHTTL3MBTL1

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
US-4036965-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1977-07-19 US disclosed