SCHEMBL17580458

SCHEMBL17580458

Nc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 5/20 0.47
MAPT P10636 5/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
HIF1A Q16665 1/20 0.45
GPR35 Q9HC97 1/20 0.42
VCAM1 P19320 1/20 0.42
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 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
SCHEMBL8698196 0.89 TDP1 (0.50) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL8095561 0.89 MAPT (0.50) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL500039 0.89 TDP1 (0.50) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL14247146 0.84 MAPT (0.50) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL25394208 0.84 ALDH1A1 (0.62) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL12021950 0.84 MAPK1 (0.52) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL30296333 0.84 ALDH1A1 (0.62) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL9821008 0.84 MAPT (0.49) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL6731458 0.84 ALDH1A1 (0.58) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL8067566 0.84 MAPK1 (0.52) ALDH1A1TDP1MAPTCYP3A4TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850991-A High-wet fast dispersing dye and its mixture 德司达染料分销有限公司 2023-03-28 CN disclosed
US-10301474-B2 High wet fast disperse dyes and mixtures thereof DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2019-05-28 US disclosed
US-20170306154-A1 HIGH WET FAST DISPERSE DYES AND MIXTURES THEREOF DyStar Coulours Distribution GmbH (DE) 2017-10-26 US disclosed
EP-3060608-B1 HIGH WET FAST DISPERSE DYES AND MIXTURES THEREOF DYSTAR COLOURS DISTRIB GMBH (DE) 2016-12-21 EP disclosed
EP-3060608-A1 HIGH WET FAST DISPERSE DYES AND MIXTURES THEREOF DyStar Colours Distribution GmbH (DE) 2016-08-31 EP disclosed
WO-2016041849-A1 HIGH WET FAST DISPERSE DYES AND MIXTURES THEREOF DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2016-03-24 WO disclosed
EP-2995653-A1 High wet-fast disperse dyes and mixtures thereof DyStar Colours Distribution GmbH (DE) 2016-03-16 EP disclosed