SCHEMBL2012069

SCHEMBL2012069

CCN1C(=O)c2ccc(N)cc2S1(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 15/20 0.61
CA9 Q16790 14/20 0.61
ELANE P08246 2/20 0.41
CA2 P00918 4/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 2/20 0.40
CA1 P00915 2/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL8891388 0.81 CA12 (0.61) CA12CA9ELANECA2ALDH1A1
SCHEMBL2010276 0.81 CA12 (0.61) CA12CA9ELANECA2ALDH1A1
SCHEMBL7281068 0.79 CA12 (0.68) CA12CA9CA2RAB9ACA1
SCHEMBL25609811 0.78 CA9 (0.58) CA12CA9CA2ALDH1A1RAB9A
SCHEMBL30834902 0.76 CA12 (1.00) CA12CA9ELANECA2ALDH1A1
SCHEMBL1101896 0.76 CA12 (1.00) CA12CA9ELANECA2ALDH1A1
SCHEMBL2010585 0.76 RAB9A (0.68) CA12CA9CA2RAB9ACA1
SCHEMBL30873067 0.76 RAB9A (0.68) CA12CA9CA2RAB9ACA1
SCHEMBL11394258 0.73 RAB9A (0.71) CA12CA9ELANEALDH1A1RAB9A
SCHEMBL12631281 0.72 CA12 (0.50) CA12CA9ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513229-B1 DISPERSE AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN ADV MAT SWITZERLAND (CH) 2014-04-23 EP disclosed
EP-2513229-A1 DISPERSE AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF Huntsman Advanced Materials (Switzerland) GmbH (CH) 2012-10-24 EP disclosed
WO-2011072966-A1 DISPERSE AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNSTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2011-06-23 WO disclosed
WO-2011072966-A1 DISPERSE AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNSTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2011-06-23 WO disclosed