SCHEMBL6575715

SCHEMBL6575715

COc1ccc(-c2cc(N)ccc2O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
MAPK1 P28482 2/20 0.42
NOTUM Q6P988 1/20 0.42
CYP3A4 P08684 2/20 0.42

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 SCHEMBL6781089 0.98 ALDH1A1 (0.53) PDE10AALDH1A1TDP1GAAKDM4E
Hydrochloric Acid SCHEMBL5688123 0.89 ALDH1A1 (0.51) PDE10AALDH1A1TDP1GAAKDM4E
SCHEMBL6572388 0.84 ALDH1A1 (0.50) PDE10AALDH1A1TDP1GAAKDM4E
Hydrochloric Acid SCHEMBL6777421 0.83 ALDH1A1 (0.53) PDE10AALDH1A1TDP1GAAKDM4E
SCHEMBL6011235 0.82 ALDH1A1 (0.56) ALDH1A1TDP1GAAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6574687 0.82 ALDH1A1 (0.49) PDE10AALDH1A1TDP1GAAKDM4E
SCHEMBL6011428 0.81 TDP1 (0.47) ALDH1A1TDP1GAAKDM4ESMN1; SMN2
SCHEMBL6572244 0.81 NPC1 (0.53) PDE10AALDH1A1TDP1GAAKDM4E
SCHEMBL6573646 0.80 PDE10A (0.59) PDE10AALDH1A1TDP1GAAKDM4E
SCHEMBL6573915 0.80 PDE10A (0.59) PDE10AALDH1A1NPC1TSHRCASP1

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