SCHEMBL6574540

SCHEMBL6574540

CC(O)c1ccc(-c2cc(N)ccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
TDP1 Q9NUW8 5/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 3/20 0.45
ALOX15 P16050 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 2/20 0.42
ALOX12 P18054 1/20 0.42
BACE1 P56817 2/20 0.41
RECQL P46063 4/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40

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 SCHEMBL6778620 0.98 PDE10A (0.44) PDE10ATDP1KDM4EMAPTALDH1A1
SCHEMBL6572178 0.84 NOS3 (0.37) PDE10ATDP1KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6570874 0.83 NOS3 (0.36) PDE10ATDP1KDM4EMAPTALDH1A1
SCHEMBL3789852 0.81 PDE10A (0.54) PDE10ATDP1KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6787402 0.79 PDE10A (0.52) PDE10ATDP1KDM4EMAPTALDH1A1
SCHEMBL6029104 0.78 BACE1 (0.62) PDE10ATDP1KDM4EMAPTALDH1A1
SCHEMBL6574009 0.77 USP7 (0.50) PDE10AMAPTALDH1A1ALOX15NPC1
SCHEMBL6488472 0.77 ALDH1A1 (0.52) TDP1KDM4EMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL6781665 0.77 BACE1 (0.60) PDE10ATDP1KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6782855 0.76 PELI1 (0.49) PDE10AMAPTALDH1A1ALOX15NPC1

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