SCHEMBL9955728

SCHEMBL9955728

Cc1cc(Nc2ccccc2)nc(Cl)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 1/20 0.57
RPS27 P42677 1/20 0.48
MAPK8 P45983 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.46
ABCB1 P08183 2/20 0.46
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL31384573 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1RPS27MAPK8MEN1
SCHEMBL31384576 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1RPS27MAPK8MEN1
SCHEMBL1497998 0.84 ALDH1A1 (0.76) ALDH1A1RPS27MAPK8MEN1KMT2A
SCHEMBL9956389 0.82 ALDH1A1 (0.57) ALDH1A1RPS27MAPK8MEN1KMT2A
SCHEMBL28496806 0.81 L3MBTL1 (0.42) L3MBTL1ALDH1A1KDM4EABCG2
SCHEMBL31468920 0.78 L3MBTL1 (0.53) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL23758044 0.78 L3MBTL1 (0.51) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31384575 0.77 ALDH1A1 (0.74) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9956692 0.77 ALDH1A1 (0.74) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10508104 0.76 L3MBTL1 (0.50) L3MBTL1ALDH1A1MEN1KMT2AKDM4E

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
US-9938411-B2 Disperse azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2018-04-10 US disclosed
EP-2655518-B1 DISPERSE AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2016-01-06 EP disclosed
EP-2655518-A1 DISPERSE AZO DYES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2013-10-30 EP disclosed
US-20130255011-A1 Disperse Azo Dyes HUNTSMAN INTERNATIONAL LLC (US) 2013-10-03 US disclosed
WO-2012084417-A1 DISPERSE AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2012-06-28 WO disclosed