SCHEMBL9955096

SCHEMBL9955096

Cc1cc(N)nc(Nc2ccccc2)c1C#N

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
KDM4E B2RXH2 6/20 0.52
HSD17B10 Q99714 5/20 0.52
HPGD P15428 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RXFP1 Q9HBX9 3/20 0.52
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 3/20 0.49
RPS27 P42677 1/20 0.45
MAPK8 P45983 1/20 0.45
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
SCHEMBL11102054 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL1497998 0.84 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL31384575 0.82 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL9956692 0.82 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL10102103 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL10976698 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL11313929 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDKMT2AGAA
SCHEMBL11030558 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL9956389 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL8469938 0.75 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10HPGDMEN1

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