SCHEMBL5048728

SCHEMBL5048728

CCN(CCC(=O)OCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.41
MAPK1 P28482 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MMP14 P50281 2/20 0.41
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 7/20 0.37
POLB P06746 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
NFKB1 P19838 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
SCHEMBL5048725 1.00 MAPT (0.41) MAPTMAPK1NPC1RAB9AMMP14
SCHEMBL15693774 0.84 GLA (0.33) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL5049951 0.84 MAPT (0.37) MAPTMAPK1NPC1RAB9AMMP14
SCHEMBL14206914 0.84 KMT2A (0.39) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL5044618 0.84 KMT2A (0.39) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL5044632 0.84 MAPT (0.36) MAPTMAPK1NPC1RAB9AMMP14
SCHEMBL5044630 0.84 MAPT (0.36) MAPTMAPK1NPC1RAB9AMMP14
SCHEMBL14206915 0.83 MAPT (0.34) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5048748 0.83 KDR (0.33) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5044621 0.83 MAPT (0.42) MAPTMAPK1NPC1RAB9AMMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358345-B2 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-04-15 US disclosed