SCHEMBL7475407

SCHEMBL7475407

N#CC1=CCCC(C#N)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL820211 0.77
SCHEMBL14820797 0.74
SCHEMBL14808710 0.74
SCHEMBL2991557 0.74
SCHEMBL15047218 0.74
SCHEMBL11762838 0.74
SCHEMBL21971929 0.69
SCHEMBL8228512 0.69
SCHEMBL14809249 0.68 NOTUM (0.33)
SCHEMBL14811115 0.66 JAK2 (0.55)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714293-A4 3-CYANO-3-(3,4-DISUBSTITUTED)PHENYLCYCLOHEXYL-1-CARBOXYLATES SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP disclosed
EP-0714293-A1 3-CYANO-3-(3,4-DISUBSTITUTED)PHENYLCYCLOHEXYL-1-CARBOXYLATES SMITHKLINE BEECHAM CORPORATION (US) 1996-06-05 EP disclosed
WO-1995003794-A1 3-CYANO-3-(3,4-DISUBSTITUTED)PHENYLCYCLOHEXYL-1-CARBOXYLATES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-09 WO disclosed