SCHEMBL11580792

SCHEMBL11580792

N#CCCc1ccc(C(=O)Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HDAC1 Q13547 1/20 0.34
PLK1 P53350 1/20 0.34
POLB P06746 2/20 0.34
THRB P10828 2/20 0.34
THRA P10827 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3767589 0.82 ALDH1A1 (0.50) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL7132233 0.81 HDAC1 (0.47) KMT2AALDH1A1L3MBTL1CA1CA2
SCHEMBL3455668 0.81 PLA2G10 (0.48) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL4946030 0.81 KMT2A (0.55) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL7039295 0.80 KMT2A (0.46) MEN1KMT2AALDH1A1NPC1L3MBTL1
SCHEMBL8200768 0.79 MEN1 (0.61) MEN1KMT2AALDH1A1NR1H2NR1H3
SCHEMBL8764230 0.78 MEN1 (0.64) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL6716160 0.77 CYP4A11 (0.60) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL3962189 0.75 CA1 (0.43) KMT2AALDH1A1NPC1L3MBTL1CA1
SCHEMBL8772450 0.74 ALDH1A1 (0.53) MEN1KMT2AALDH1A1NPC1L3MBTL1

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-4105653-A HETERYL-AZO-PHENYL DISPERSE DYESTUFFS CONTAINING A Z-SUBSTITUTED BENZOLYLOXYALKYL RADICAL, WHEREIN Z IS 2-CYANOVINYL 2-CYANOETHYL OR 2-CHLORO-2-CYANOETHYL PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-08-08 US disclosed
US-3987027-A DISPERSE AZO DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-10-19 US disclosed