SCHEMBL8780854

SCHEMBL8780854

CC(=O)NCCSc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.53
GSTM2 P28161 1/20 0.53
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
GLA P06280 1/20 0.49
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
NQO2 P16083 1/20 0.47
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
NPC1 O15118 1/20 0.44
GPR35 Q9HC97 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL8921259 0.84 SMN1; SMN2 (0.51) GSTP1GSTM2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8780978 0.82 MTNR1A (0.49) GSTP1GSTM2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8781083 0.79 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2GPR35GAA
SCHEMBL8780951 0.78 GPR35 (0.51) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL71057 0.76 TXNRD1 (0.63) ALDH1A1MAPTSMN1; SMN2RECQLGPR35
SCHEMBL9794546 0.75 RAB9A (0.70) ALDH1A1MAPTSMN1; SMN2GLARECQL
SCHEMBL4492921 0.74 CYP1A2 (0.54) GSTP1GSTM2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8781050 0.73 GPR35 (0.56) ALDH1A1MAPTSMN1; SMN2GPR35GAA
SCHEMBL9811404 0.72 SMN1; SMN2 (0.52) ALDH1A1MAPTSMN1; SMN2GLAGAA
SCHEMBL6607465 0.71 KMT2A (0.57) RAB9ANQO2NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589952-B1 USE OF SUPLHUR METAAMINOPHENOLS FOR DYEING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS OREAL (FR) 1997-08-27 EP disclosed
US-5478359-A Applying a hair dyes L'OREAL (FR) 1995-12-26 US disclosed
EP-0589952-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS. OREAL (FR) 1994-04-06 EP disclosed
WO-1992022525-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS L'OREAL (FR) 1992-12-23 WO disclosed