SCHEMBL5044618

SCHEMBL5044618

CCN(CCC(=O)OCC#N)c1ccc(N=Nc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
MAPT P10636 8/20 0.38
MEN1 O00255 6/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HTT P42858 3/20 0.37
DYRK1A Q13627 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NOD2 Q9HC29 1/20 0.36
RIPK1 Q13546 1/20 0.35
POLB P06746 2/20 0.35
STAT1 P42224 1/20 0.35
ACP1 P24666 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL14206914 1.00 KMT2A (0.39) KMT2AMAPTMEN1KDRALDH1A1
SCHEMBL21357671 0.87 KDR (0.42) KMT2AMAPTMEN1KDRALDH1A1
SCHEMBL29622967 0.87 KDR (0.42) KMT2AMAPTMEN1KDRALDH1A1
SCHEMBL13332393 0.87 KDR (0.42) KMT2AMAPTMEN1KDRALDH1A1
SCHEMBL14206915 0.84 MAPT (0.34) KMT2AMAPTMEN1KDRALDH1A1
SCHEMBL5048725 0.84 MAPT (0.41) KMT2AMAPTMEN1KDRALDH1A1
SCHEMBL5048728 0.84 MAPT (0.41) KMT2AMAPTMEN1KDRALDH1A1
SCHEMBL5048748 0.83 KDR (0.33) KMT2AMAPTMEN1KDRALDH1A1
SCHEMBL5044630 0.81 MAPT (0.36) KMT2AMAPTMEN1KDRALDH1A1
SCHEMBL5044632 0.81 MAPT (0.36) KMT2AMAPTMEN1KDRALDH1A1

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