SCHEMBL8780951

SCHEMBL8780951

CCSc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
GAA P10253 2/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 8/20 0.49
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ERN1 O75460 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8781083 0.84 ALDH1A1 (0.51) GPR35GAATHRBALDH1A1MAPT
SCHEMBL71057 0.84 TXNRD1 (0.63) GPR35GAATHRBALDH1A1MAPT
SCHEMBL16676192 0.81 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2TSHRTXNRD1
SCHEMBL8973769 0.81 TXNRD1 (0.66) GPR35GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL8781050 0.81 GPR35 (0.56) GPR35GAATHRBALDH1A1MAPT
SCHEMBL2916717 0.80 TXNRD1 (0.46) GAATHRBALDH1A1MAPTSMN1; SMN2
SCHEMBL2431471 0.80 ALDH1A1 (0.47) GAATHRBALDH1A1MAPTSMN1; SMN2
SCHEMBL6815838 0.80 PDE7A (0.56) ALDH1A1MAPTSMN1; SMN2TXNRD1TXNRD3
SCHEMBL28168037 0.80 HTT (0.57) GAAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL30876805 0.78 ALDH1A1 (0.64) GPR35GAATHRBALDH1A1MAPT

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