SCHEMBL11588993

SCHEMBL11588993

N#CC(C#N)=C1c2ccc([N+](=O)[O-])cc2-c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.69
EGFR P00533 1/20 0.62
MAPT P10636 6/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPK1 P28482 3/20 0.55
TDP1 Q9NUW8 2/20 0.53
PTPRC P08575 3/20 0.50
S100A4 P26447 2/20 0.50
HSP90AA1 P07900 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL11586212 0.97 HPRT1 (0.70) HPRT1EGFRMAPTKDM4EMAPK1
SCHEMBL11589459 0.94 HPRT1 (0.63) HPRT1EGFRMAPTKDM4EMAPK1
SCHEMBL10943739 0.93 HPRT1 (0.74) HPRT1EGFRMAPTKDM4EMAPK1
SCHEMBL11695991 0.91 HPRT1 (0.67) HPRT1EGFRMAPTKDM4EMAPK1
SCHEMBL29413354 0.82 HPRT1 (1.00) HPRT1EGFRMAPTKDM4EMAPK1
SCHEMBL1034255 0.82 HPRT1 (1.00) HPRT1EGFRMAPTKDM4EMAPK1
SCHEMBL30309848 0.82 HPRT1 (1.00) HPRT1EGFRMAPTKDM4EMAPK1
SCHEMBL3920243 0.81 HPRT1 (0.60) HPRT1EGFRMAPTKDM4EMAPK1
SCHEMBL11587481 0.80 HPRT1 (0.77) HPRT1EGFRMAPTKDM4EMAPK1
SCHEMBL6257218 0.79 HPRT1 (0.71) HPRT1EGFRMAPTKDM4EMAPK1

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-RE29554-E Organic photoconductive members comprising dicyanomethylene substituted fluorene sensitizers ADDRESSOGRAPH-MULTIGRAPH CORPORATION (US) 1978-02-28 US disclosed