SCHEMBL13626280

SCHEMBL13626280

CN/C(NCc1ccccc1)=C(\C(=N)Oc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 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
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL13626281 0.82 CYP2C9 (0.40) CYP2C9CYP2C19KMT2AHPGDL3MBTL1
SCHEMBL13626330 0.79 PKM (0.41) CYP2C9CYP2C19KMT2AHPGDALDH1A1
SCHEMBL13626329 0.76 GAA (0.37) CYP2C9CYP2C19KMT2AHPGDALDH1A1
SCHEMBL10789276 0.67 KMT2A (0.50) NPC1RAB9AKMT2AHPGDTSHR
SCHEMBL5108159 0.64 NPC1 (0.69) NPC1RAB9AKMT2AHPGDHTT
SCHEMBL1817029 0.64 ALDH1A1 (0.45) CYP2C9CYP2C19KMT2AHPGDTSHR
SCHEMBL4014042 0.64 ALOX12 (0.52) CYP2C9CYP2C19KMT2AHPGDALDH1A1
SCHEMBL599832 0.63 CYP2C9 (0.67) CYP2C9CYP2C19NPC1RAB9AKMT2A
SCHEMBL3757985 0.63 CYP2C9 (0.60) CYP2C9CYP2C19NPC1RAB9AKMT2A
SCHEMBL18677833 0.63 HPGD (0.40) CYP2C9CYP2C19RAB9AKMT2AHPGD

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
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