SCHEMBL5048748

SCHEMBL5048748

CCN(CCC(=O)OCC#N)c1ccc(N=Nc2nsc3ccc([N+](=O)[O-])cc23)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14206915 0.87 MAPT (0.34) KDRMAPTALDH1A1KDM4EMEN1
SCHEMBL8389717 0.84 KDR (0.39) KDRMAPTALDH1A1MEN1LMNA
SCHEMBL5048728 0.83 MAPT (0.41) KDRMAPTALDH1A1KDM4EMEN1
SCHEMBL5048725 0.83 MAPT (0.41) KDRMAPTALDH1A1KDM4EMEN1
SCHEMBL5044618 0.83 KMT2A (0.39) KDRMAPTALDH1A1MEN1LMNA
SCHEMBL14206914 0.83 KMT2A (0.39) KDRMAPTALDH1A1MEN1LMNA
SCHEMBL5044630 0.79 MAPT (0.36) KDRMAPTALDH1A1KDM4EMEN1
SCHEMBL5044632 0.79 MAPT (0.36) KDRMAPTALDH1A1KDM4EMEN1
SCHEMBL5047688 0.78 KDR (0.39) KDRMAPTALDH1A1MEN1LMNA
SCHEMBL14206916 0.78 KDR (0.39) KDRMAPTALDH1A1MEN1LMNA

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