SCHEMBL13626281

SCHEMBL13626281

CN/C(NCc1ccccc1)=C(\C(=N)Br)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP2C19 P33261 3/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13626330 0.83 PKM (0.41) CYP2C9ALDH1A1MEN1KMT2AGAA
SCHEMBL13626280 0.82 CYP2C9 (0.39) CYP2C9ALDH1A1KMT2APOLBCYP2C19
SCHEMBL13626329 0.80 GAA (0.37) CYP2C9ALDH1A1MEN1KMT2AGAA
SCHEMBL1817029 0.67 ALDH1A1 (0.45) CYP2C9ALDH1A1MEN1KMT2APOLB
SCHEMBL4014042 0.67 ALOX12 (0.52) CYP2C9ALDH1A1MEN1KMT2APOLB
SCHEMBL18677833 0.67 HPGD (0.40) CYP2C9ALDH1A1MEN1KMT2APOLB
SCHEMBL11694166 0.66 CYP2C9 (0.44) CYP2C9ALDH1A1MEN1KMT2APOLB
SCHEMBL13626278 0.65
SCHEMBL9781028 0.65 MMP8 (0.49) CYP2C9ALDH1A1KMT2AGAACYP2C19
SCHEMBL22828101 0.65 CYP2C9 (0.43) CYP2C9ALDH1A1MEN1KMT2APOLB

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-2274286-B1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF PROCTER & GAMBLE (US) 2015-08-05 EP disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed