SCHEMBL11048993

SCHEMBL11048993

C/C=C(\N)CNCCCCCCCCCCCCNC/C(N)=C/C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
KDM1A O60341 1/20 0.34
PAOX Q6QHF9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 1/20 0.32
F13A1 P00488 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA5A P35218 1/20 0.32
THPO P40225 1/20 0.32
CASP2 P42575 1/20 0.32
CA7 P43166 1/20 0.32
RECQL P46063 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
SCHEMBL11047729 1.00 MAOA (0.45) MAOAMAOBKDM1APAOXALDH1A1
SCHEMBL11052599 0.97 MAOA (0.41) MAOAMAOBKDM1AALDH1A1TSHR
SCHEMBL11049983 0.87 MAOA (0.30) MAOAMAOB
SCHEMBL11049032 0.80
SCHEMBL11307025 0.77 MAOA (0.37) MAOAMAOB
SCHEMBL11571208 0.68 MAOA (0.34) MAOAMAOBKDM1AALDH1A1TSHR
SCHEMBL25583920 0.67
SCHEMBL9068804 0.67
SCHEMBL23279285 0.67 EPHX1 (0.42) PAOX
SCHEMBL7339341 0.65 MAOA (0.67) MAOAMAOBALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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