SCHEMBL6572298

SCHEMBL6572298

CCOc1cccc(-c2cc(N)ccc2O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
NOTUM Q6P988 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
FYN P06241 2/20 0.46
MAP4K4 O95819 1/20 0.45
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
MAPK10 P53779 1/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 2/20 0.43
PTGS2 P35354 1/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 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
Hydrochloric Acid SCHEMBL6787023 0.99 TP53 (0.57) TP53CYP3A4NOTUMRXRARXRB
SCHEMBL5688174 0.90 TP53 (0.60) TP53CYP3A4NOTUMRXRARXRB
SCHEMBL6574171 0.85 TP53 (0.62) TP53CYP3A4NOTUMRXRARXRB
Hydrochloric Acid SCHEMBL6574118 0.84 TP53 (0.60) TP53CYP3A4NOTUMRXRARXRB
SCHEMBL6572257 0.83 FYN (0.55) CYP3A4FYNGAALMNAMAPT
SCHEMBL6576035 0.83 TDP1 (0.56) TP53CYP3A4GAALMNAMAPK10
Hydrochloric Acid SCHEMBL6782752 0.82 TDP1 (0.55) TP53CYP3A4GAALMNAMAPK10
Hydrochloric Acid SCHEMBL6781218 0.82 FYN (0.54) CYP3A4FYNGAALMNAMAPT
SCHEMBL11017769 0.81 RXRA (0.51) TP53CYP3A4NOTUMRXRARXRB
SCHEMBL30093058 0.79 CYP3A4 (0.79) TP53CYP3A4NOTUMRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP disclosed
EP-1208077-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-05-29 EP disclosed
WO-2002002507-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-01-10 WO disclosed