SCHEMBL8780956

SCHEMBL8780956

CCSc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
APEX1 P27695 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CA2 P00918 2/20 0.44
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
BACE1 P56817 1/20 0.42
EGFR P00533 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDK1 Q15118 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8973769 0.81 TXNRD1 (0.66) MAPTLMNASMN1; SMN2ALDH1A1TXNRD1
SCHEMBL9017792 0.81 TXNRD1 (0.46) MAPTSMN1; SMN2ALDH1A1TXNRD1TXNRD3
SCHEMBL23302290 0.80 PDE7A (0.54) MAPTLMNASMN1; SMN2APEX1ALDH1A1
SCHEMBL9503748 0.78 MAPT (0.56) MAPTLMNASMN1; SMN2APEX1ALDH1A1
SCHEMBL8781085 0.78 ALDH1A1 (0.39) MAPTAPEX1ALDH1A1TXNRD1TXNRD3
SCHEMBL6114282 0.76 CA2 (0.70) MAPTSMN1; SMN2ALDH1A1CA2
SCHEMBL23768982 0.76 HPGD (0.63) MAPTLMNASMN1; SMN2APEX1ALDH1A1
SCHEMBL3386571 0.75 MEN1 (0.53) MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL9281293 0.75 PDK1 (0.55) ALDH1A1BACE1EGFRESR1ESR2
SCHEMBL1454766 0.75 PDE7A (0.55) MAPTLMNASMN1; SMN2ALDH1A1TXNRD1

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
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
EP-0092909-B1 PROCESS FOR PRODUCING AMINOPHENYL-BETA-HYDROXYETHYLSULFONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-19 EP disclosed