SCHEMBL12693449

SCHEMBL12693449

CCn1c(O)c(/N=N/c2ccc(OC)cc2[N+](=O)[O-])c(C)c(C#N)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 7/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL14115925 1.00 MAPT (0.39) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL12693434 0.90 ALDH1A1 (0.42) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL12690325 0.89 MEN1 (0.49) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL1138792 0.87 MAPT (0.39) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL1138794 0.87 MAPT (0.39) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL14115924 0.87 MET (0.41) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL15693778 0.87 MET (0.41) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL9816812 0.86 MAPT (0.34) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL15694956 0.86 MAPT (0.36) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL6891181 0.84 NPC1 (0.47) MAPTLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096972-B2 Disperse dye mixtures, their preparation and use DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-08-04 US disclosed
US-8906116-B2 Mixtures of disperse dyes DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2014-12-09 US disclosed
US-20140123407-A1 DISPERSE DYE MIXTURES, THEIR PREPARATION AND USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2014-05-08 US disclosed
EP-2376579-B1 MIXTURES OF DISPERSE DYES DYSTAR COLOURS DISTRIB GMBH (DE) 2012-10-03 EP disclosed
US-20120240346-A1 MIXTURES OF DISPERSE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-09-27 US disclosed
WO-2010066587-A2 MIXTURES OF DISPERSE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-06-17 WO disclosed