SCHEMBL11054819

SCHEMBL11054819

C/C(N)=C/C(=O)NCc1ccc(CNC(=O)/C=C(/C)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.57
LMNA P02545 2/20 0.49
TGM2 P21980 1/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 6/20 0.44
CYP2D6 P10635 1/20 0.44
TPSAB1 Q15661 3/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
PRSS1 P07477 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL13956776 0.91 CYP2C9 (0.71) CYP2C9LMNACYP2C19KMT2AALDH1A1
SCHEMBL11814565 0.78 PPID (0.48) CYP2C9LMNATGM2CYP2C19KMT2A
SCHEMBL5175031 0.78 CYP2C9 (0.77) CYP2C9LMNACYP2C19KMT2AALDH1A1
SCHEMBL10157129 0.77 MEN1 (0.59) CYP2C9LMNACYP2C19KMT2AALDH1A1
SCHEMBL10157126 0.77 HPGD (0.56) CYP2C9LMNAKMT2AALDH1A1POLB
SCHEMBL5358931 0.76 CYP2C9 (0.75) CYP2C9LMNACYP2C19KMT2AALDH1A1
SCHEMBL7672594 0.76 CYP2C9 (0.75) CYP2C9LMNACYP2C19KMT2AALDH1A1
SCHEMBL11049989 0.74 ALDH1A1 (0.40) CYP2C9LMNAALDH1A1POLBMAPT
SCHEMBL17845078 0.74 CYP2C9 (0.73) CYP2C9LMNACYP2C19KMT2AALDH1A1
SCHEMBL7930854 0.74 ALDH1A1 (0.59) CYP2C9LMNATGM2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161580-A Thermosetting mixtures of polyimide beta-amino crotonic acid derivative and polyamine which are stable on storage CIBA-GEIGY CORPORATION (US) 1979-07-17 US claimed
US-4089845-A Thermosetting mixtures which are stable on storage from polyimide and .beta. CIBA-GEIGY CORPORATION (US) 1978-05-16 US claimed
US-4424336-A Meat-curable mixture, which are stable on storage, of epoxide resin, 3-aminocrotonic acid derivatives and maleimide compound CIBA-GEIGY CORPORATION (US) 1984-01-03 US disclosed
US-4360655-A Heat-curable mixtures, which are stable on storage, of epoxide compounds β-aminocrotonic acid derivatives and polyamine CIBA-GEIGY CORPORATION (US) 1982-11-23 US disclosed
US-4348511-A POLYURETHANES MODIFIED WITH BETA-AMINOCROTONIC ACID DERIVATIVES CIBA-GEIGY CORPORATION (US) 1982-09-07 US disclosed
US-4291146-A Heat-curable mixtures, which are stable on storage, of expoxide resins and β-aminocrotonic acid derivatives CIBA-GEIGY CORPORATION (US) 1981-09-22 US disclosed
US-4284752-A Process for producing crosslinked unsaturated polymers by reaction of .beta. CIBA-GEIGY CORPORATION (US) 1981-08-18 US disclosed
US-4161580-A Thermosetting mixtures of polyimide beta-amino crotonic acid derivative and polyamine which are stable on storage CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-4089845-A Thermosetting mixtures which are stable on storage from polyimide and .beta. CIBA-GEIGY CORPORATION (US) 1978-05-16 US disclosed