SCHEMBL8780978

SCHEMBL8780978

CC(=O)NCCSc1ccc(N)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.49
MTNR1B P49286 7/20 0.49
GSTP1 P09211 1/20 0.47
GSTM2 P28161 1/20 0.47
TSHR P16473 3/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.40
F13A1 P00488 1/20 0.37
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 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
SCHEMBL8921661 0.87 MTNR1A (0.54) MTNR1AMTNR1BGSTP1GSTM2TSHR
Hydrochloric Acid SCHEMBL8919928 0.85 MTNR1A (0.52) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8445169 0.84 MTNR1A (0.50) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8919768 0.83 MTNR1A (0.50) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8780854 0.82 GSTP1 (0.53) MTNR1AMTNR1BGSTP1GSTM2KMT2A
SCHEMBL9212481 0.76 MTNR1A (0.70) MTNR1AMTNR1BTSHRKMT2AMAPT
SCHEMBL8921659 0.74 MTNR1A (0.50) MTNR1AMTNR1BGSTP1GSTM2TSHR
SCHEMBL8780999 0.74 CA2 (0.45) TSHRKMT2AMAPTALDH1A1KDM4E
SCHEMBL8781071 0.73 TLR8 (0.44) TSHRMAPTKDM4ECASP1EPHX2
SCHEMBL8781067 0.72 CASP1 (0.47) TSHRKMT2AMAPTALDH1A1KDM4E

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 7 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 claimed
EP-0589952-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS. OREAL (FR) 1994-04-06 EP claimed
WO-1992022525-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS L'OREAL (FR) 1992-12-23 WO claimed
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