SCHEMBL6576035

SCHEMBL6576035

CCOc1ccc(-c2cc(N)ccc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 2/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 4/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
NQO1 P15559 1/20 0.45
GAA P10253 2/20 0.44
MAPK10 P53779 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
TERT O14746 1/20 0.43
ABCB11 O95342 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 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 SCHEMBL6782752 0.98 TDP1 (0.55) TDP1TSHRMEN1KMT2ANPC1
SCHEMBL5685466 0.89 TDP1 (0.58) TDP1TSHRMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5687626 0.87 TDP1 (0.56) TDP1TSHRMEN1KMT2ANPC1
SCHEMBL6572541 0.85 APP (0.46) TDP1NPC1CYP3A4GAAALDH1A1
SCHEMBL10903140 0.84 NQO1 (0.58) TDP1TSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6783881 0.84 APP (0.45) TDP1NPC1CYP3A4GAAALDH1A1
SCHEMBL6570781 0.83 TDP1 (0.60) TDP1TSHRMEN1KMT2ANPC1
SCHEMBL28141952 0.83 LTA4H (0.55) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL6572298 0.83 TP53 (0.58) TDP1TSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6570763 0.82 TDP1 (0.58) TDP1TSHRMEN1KMT2ANPC1

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