SCHEMBL630874

SCHEMBL630874

O=[C]Nc1cccc(N[C]=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
AR P10275 1/20 0.42
GPR35 Q9HC97 1/20 0.39
KCNK3 O14649 3/20 0.37
KCNK9 Q9NPC2 3/20 0.37
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL1172183 0.85 CYP1A2 (0.54) MEN1KMT2AMAPTALDH1A1KCNK3
SCHEMBL5476577 0.84 CYP3A4 (0.52) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL2096799 0.84 SIGMAR1 (0.40)
SCHEMBL2089828 0.84 RAPGEF4 (0.47) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL515009 0.84 DDX3X (0.53) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL1189638 0.84 MEN1 (0.50) MEN1KMT2AGAARAB9A
SCHEMBL57436 0.84 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL7482595 0.82 MGLL (0.55) POLB
SCHEMBL8390036 0.82 KEAP1 (0.53) ALDH1A1HTTPOLBRAB9A
SCHEMBL7709618 0.80 ALDH1A1 (0.45) ALDH1A1RAB9A

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
EP-2420521-B1 Composite of a polyaddition polymer BRECKLE CHEMICALS & TECHNICS GMBH (DE) 2013-10-23 EP disclosed
EP-2420521-A1 Composite of a polyaddition polymer Sembella Gmbh (AT) 2012-02-22 EP disclosed