SCHEMBL2010276

SCHEMBL2010276

CCN1C(=O)c2ccc(Br)cc2S1(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.61
CA9 Q16790 11/20 0.61
CA2 P00918 5/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
ELANE P08246 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL16098320 0.87 CA12 (0.61) CA12CA9CA2RAB9ANPC1
SCHEMBL8891388 0.81 CA12 (0.61) CA12CA9CA2RAB9AELANE
SCHEMBL2012069 0.81 CA12 (0.61) CA12CA9CA2RAB9ANPC1
SCHEMBL16283531 0.80 CA12 (0.67) CA12CA9CA2RAB9AHDAC1
SCHEMBL17097221 0.78 CA9 (0.58) CA12CA9CA2RAB9ANPC1
SCHEMBL16277810 0.77 CA12 (0.59) CA12CA9CA2RAB9ANPC1
SCHEMBL1101896 0.76 CA12 (1.00) CA12CA9CA2ELANEALDH1A1
SCHEMBL30834902 0.76 CA12 (1.00) CA12CA9CA2ELANEALDH1A1
SCHEMBL2010585 0.76 RAB9A (0.68) CA12CA9CA2RAB9AHDAC1
SCHEMBL30873067 0.76 RAB9A (0.68) CA12CA9CA2RAB9AHDAC1

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 5 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-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