SCHEMBL9955003

SCHEMBL9955003

N#Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1N

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.60
VCAM1 P19320 2/20 0.47
PDE7A Q13946 1/20 0.42
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGES O14684 1/20 0.36
PLA2G7 Q13093 1/20 0.35

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
SCHEMBL12825156 0.84 XDH (0.60) XDHVCAM1ALDH1A1LMNAPOLB
SCHEMBL2964049 0.83 XDH (0.77) XDHVCAM1ALDH1A1LMNAPOLB
SCHEMBL11677753 0.83 ALDH1A1 (0.50) XDHPDE7AALDH1A1LMNAPOLB
SCHEMBL21618372 0.79 ALDH1A1 (0.41) XDHPDE7AALDH1A1POLBHTT
SCHEMBL11649757 0.78 ALDH1A1 (0.50) PDE7AALDH1A1POLBHTTFFAR4
SCHEMBL2853583 0.78 VCAM1 (0.54) VCAM1PDE7AALDH1A1LMNAPTGES
SCHEMBL2436697 0.77 ALDH1A1 (0.62) PDE7AALDH1A1LMNAPOLBHTT
SCHEMBL30270558 0.77 XDH (0.68) XDHVCAM1ALDH1A1LMNAPOLB
SCHEMBL4914101 0.77 ALDH1A1 (0.58) PDE7AALDH1A1LMNAPOLBHTT
SCHEMBL2954149 0.77 XDH (0.68) XDHVCAM1ALDH1A1LMNAPOLB

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 11 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
US-4456668-A DYE BLEACH, TEXTILE DYES CIBA GEIGY AG (CH) 1984-06-26 US disclosed
EP-0040171-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE AS COLOURING AGENTS IN THE SILVER DYESTUFF BLEACHING PROCESS CIBA-GEIGY AG (CH) 1984-03-21 EP disclosed
US-4409143-A TEXTILES, PHOTOGRAPHY CIBA-GEIGY AG (CH) 1983-10-11 US disclosed
EP-0040171-A2 Azo dyestuffs, methods for their preparation and their use as colouring agents in the silver dyestuff bleaching process CIBA-GEIGY AG (CH) 1981-11-18 EP disclosed
US-4160764-A AZO ATTACHED TO AMINO AND ALKOXY SUBSTITUTED PHENYL, DYEING AND PRINTING CELLULOSE ACETATES, POLYAMIDES, POLYURETHANES, POLYOLEFINS, POLYCARBONATES, POLYESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-10 US disclosed
US-4056523-A SULFONAMIDO SUBSTITUTED HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed