SCHEMBL5044630

SCHEMBL5044630

CCN(CCCCC(=O)OCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDR P35968 1/20 0.35
GLA P06280 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
MMP14 P50281 2/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 3/20 0.31
VCAM1 P19320 1/20 0.31
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL5044632 1.00 MAPT (0.36) MAPTALDH1A1TDP1KMT2AMAPK1
SCHEMBL16222344 0.88 MAPT (0.42) MAPTALDH1A1TDP1KMT2AMAPK1
SCHEMBL15693774 0.86 GLA (0.33) MAPTALDH1A1TDP1KMT2AKDR
SCHEMBL17305935 0.85 MAPT (0.37) MAPTALDH1A1TDP1KMT2AMAPK1
SCHEMBL5048725 0.84 MAPT (0.41) MAPTALDH1A1TDP1KMT2AMAPK1
SCHEMBL5048728 0.84 MAPT (0.41) MAPTALDH1A1TDP1KMT2AMAPK1
SCHEMBL11577864 0.83 MAPT (0.45) MAPTALDH1A1TDP1KMT2AMAPK1
SCHEMBL11577863 0.83 MAPT (0.45) MAPTALDH1A1TDP1KMT2AMAPK1
SCHEMBL5047664 0.82 MAPT (0.35) MAPTALDH1A1TDP1KMT2AMAPK1
SCHEMBL5044636 0.82 MAPT (0.35) MAPTALDH1A1TDP1KMT2AMAPK1

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
EP-1678259-B1 DISPERSE AZO DYESTUFFS DYSTAR COLOURS DISTRIB GMBH (DE) 2016-08-17 EP disclosed
US-7358345-B2 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-04-15 US disclosed
US-7358345-B2 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-04-15 US disclosed
US-20070050928-A1 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-03-08 US disclosed
US-20070050928-A1 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-03-08 US disclosed
US-20070050928-A1 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-03-08 US disclosed