SCHEMBL18179596

SCHEMBL18179596

CCN(C)c1ccc(N=Nc2snc3ccc([N+](=O)[O-])cc23)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.44
MAPT P10636 6/20 0.34
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.31
IGLV6-57 P01721 1/20 0.31

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
SCHEMBL24046231 0.91 KDR (0.39) KDRMAPTKMT2AMEN1L3MBTL1
SCHEMBL12954932 0.86 MAPT (0.41) KDRMAPTKMT2AMEN1L3MBTL1
SCHEMBL24046304 0.86 MAPT (0.41) KDRMAPTKMT2AMEN1L3MBTL1
SCHEMBL18179611 0.86 KDR (0.41) KDRMAPTKMT2AMEN1L3MBTL1
SCHEMBL24046326 0.85 POLB (0.45) KDRMAPTKMT2AMEN1L3MBTL1
SCHEMBL24046328 0.85 MAPT (0.37) KDRMAPTKMT2AMEN1L3MBTL1
SCHEMBL24046221 0.85 MAPT (0.44) KDRMAPTKMT2AMEN1L3MBTL1
SCHEMBL24046331 0.84 ALDH1A1 (0.39) KDRMAPTKMT2AMEN1ALDH1A1
SCHEMBL11948837 0.82 KDR (0.42) KDRKMT2AMEN1ALDH1A1POLB
SCHEMBL24046439 0.81 HTT (0.36) MAPTKMT2AMEN1L3MBTL1TXNRD1

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-20160312403-A1 DISPERSE DYE COMPOSITION, DISPERSE DYE AND PREPARATION METHOD AND USE THEREOF ZHEJIANG RUNTU CO., LTD. (CN) 2016-10-27 US disclosed