SCHEMBL6572360

SCHEMBL6572360

Cc1cccc(-c2cc(N)ccc2O)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.57
TSHR P16473 2/20 0.47
CASP1 P29466 2/20 0.47
TRPA1 O75762 1/20 0.45
ATM Q13315 1/20 0.45
PLA2G7 Q13093 1/20 0.42
ANPEP P15144 1/20 0.41
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NUDT1 P36639 3/20 0.39
KDM4E B2RXH2 3/20 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
Hydrochloric Acid SCHEMBL6788845 0.98 PDE10A (0.55) PDE10ATSHRCASP1TRPA1ATM
SCHEMBL5688012 0.87 CASP1 (0.53) PDE10ATSHRCASP1TRPA1ATM
SCHEMBL6572412 0.86 PDE10A (0.57) PDE10ATSHRCASP1TRPA1ATM
Hydrochloric Acid SCHEMBL5685021 0.86 CASP1 (0.52) PDE10ATSHRCASP1TRPA1ATM
SCHEMBL6572188 0.85 PDE10A (0.61) PDE10ATSHRCASP1ATMPLA2G7
Hydrochloric Acid SCHEMBL6788783 0.84 PDE10A (0.59) PDE10ATSHRCASP1ATMPLA2G7
SCHEMBL6573367 0.83 PDE10A (0.63) PDE10ATSHRCASP1TRPA1ATM
SCHEMBL2864101 0.81 MGAM (0.49) TRPA1ATMANPEPDPP4ALDH1A1
SCHEMBL6573783 0.80 PDE10A (0.50) PDE10ATSHRCASP1PLA2G7ANPEP
Hydrochloric Acid SCHEMBL6574527 0.80 PLA2G7 (0.43) PDE10ATSHRCASP1PLA2G7ANPEP

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-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP claimed
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