SCHEMBL9287155

SCHEMBL9287155

CCCCCNC(=O)/C(C#N)=C/O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 4/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ DNM1 Q05193 7/20 0.47
▸ EGFR P00533 2/20 0.47
▸ EPHX1 P07099 5/20 0.46
▸ ZDHHC20 Q5W0Z9 1/20 0.46
▸ ZDHHC2 Q9UIJ5 1/20 0.46

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
SCHEMBL8763697 1.00 SMN1; SMN2 (0.54) SMN1; SMN2LMNAKDM4EHPGDMEN1
SCHEMBL8763694 1.00 SMN1; SMN2 (0.54) SMN1; SMN2LMNAKDM4EHPGDMEN1
SCHEMBL10645286 0.79 SMN1; SMN2 (0.60) SMN1; SMN2LMNAKDM4EHPGDMEN1
SCHEMBL23942214 0.76 MCL1 (0.48) SMN1; SMN2LMNAKDM4EHPGDMEN1
SCHEMBL30327641 0.75 EPHX1 (0.58) MEN1KMT2AEPHX1ZDHHC20ZDHHC2
SCHEMBL7550275 0.75 EPHX1 (0.48) SMN1; SMN2LMNAHPGDMEN1TP53
SCHEMBL3257790 0.74 EPHX1 (0.68) MEN1KMT2AEPHX1ZDHHC20ZDHHC2
SCHEMBL7548924 0.74 EPHX1 (0.52) SMN1; SMN2LMNAHPGDMEN1TP53
SCHEMBL7550565 0.74 EPHX1 (0.52) SMN1; SMN2LMNAHPGDMEN1TP53
SCHEMBL7546089 0.74 EPHX1 (0.52) SMN1; SMN2LMNAHPGDMEN1TP53

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-0652214-A1 N-Aryl-2-cyano-3-hydroxy propenamide derivatives, a method for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-05-10 — — EP disclosed
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