SCHEMBL7049849

SCHEMBL7049849

N#CC(C#N)=C1CC(=C(C#N)C#N)c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
RECQL P46063 2/20 0.49
KMT2A Q03164 2/20 0.49
MCL1 Q07820 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
S100A4 P26447 2/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
PTPRC P08575 1/20 0.43
ALDH1A1 P00352 3/20 0.40
GPR35 Q9HC97 2/20 0.40
HPGD P15428 1/20 0.40
HPRT1 P00492 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL7051549 0.89 MAPT (0.61) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL9340176 0.89 MAPT (0.61) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL1673468 0.75 S100A4 (0.47) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL7043707 0.74 ADORA2A (0.35) MAPTKMT2APTPRCALDH1A1HPGD
SCHEMBL7048279 0.74 EGFR (0.33) KMT2AALDH1A1GAA
SCHEMBL7049632 0.73 EGFR (0.33) ALDH1A1GPR35
SCHEMBL7050655 0.73 CA1 (0.35) KMT2ACA1CA2CA7CA9
SCHEMBL7046506 0.73 CA1 (0.35) CA1CA2CA7CA9ALDH1A1
SCHEMBL255284 0.71 EGFR (0.40) MAPTKMT2AALDH1A1GPR35POLB
SCHEMBL7047198 0.70 MEN1 (0.40) MAPTKMT2ACA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed