SCHEMBL9779649

SCHEMBL9779649

COC(=O)C(=O)/C=C/c1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P4HB P07237 16/20 0.61
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
FBP1 P09467 1/20 0.48

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
SCHEMBL9779652 1.00 P4HB (0.61) P4HBMAOAMAOBPDCD1CD274
SCHEMBL24312 0.85 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL6983643 0.85 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL24313 0.85 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL6947907 0.81 P4HB (0.58) P4HBMAOAMAOBPDCD1CD274
SCHEMBL6977115 0.80 P4HB (0.62) P4HBMAOAMAOBFBP1
SCHEMBL6977108 0.80 P4HB (0.62) P4HBMAOAMAOBFBP1
SCHEMBL8497675 0.80 P4HB (0.66) P4HBMAOAMAOBFBP1
SCHEMBL7339707 0.80 P4HB (0.66) P4HBMAOAMAOBFBP1
SCHEMBL1225940 0.79 P4HB (0.64) P4HBMAOAMAOBFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed