SCHEMBL9956692

SCHEMBL9956692

Cc1cc(Cl)nc(Nc2ccccc2)c1C#N

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
KDM4E B2RXH2 6/20 0.56
HSD17B10 Q99714 5/20 0.56
TSHR P16473 3/20 0.56
HPGD P15428 4/20 0.52
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RXFP1 Q9HBX9 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL31384575 1.00 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL1497998 0.84 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL9955096 0.82 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL10102103 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL10102084 0.78 KDM4E (0.46) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL29986241 0.78 KDM4E (0.46) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL31384573 0.77 L3MBTL1 (0.58) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL31384576 0.77 L3MBTL1 (0.58) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL9955728 0.77 L3MBTL1 (0.58) ALDH1A1KDM4EHSD17B10TSHRL3MBTL1
SCHEMBL8440869 0.75 KDM4E (0.49) ALDH1A1KDM4EHSD17B10TSHRHPGD

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