SCHEMBL7085448

SCHEMBL7085448

N#Cc1ccc(-c2cc(N)ccc2N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
PIK3CD O00329 2/20 0.40
CHEK1 O14757 2/20 0.39
VHL P40337 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
PIK3CA P42336 2/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MAP4K4 O95819 1/20 0.35
DGAT1 O75907 1/20 0.35
TRPA1 O75762 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35

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
SCHEMBL7642979 1.00 PDE10A (0.42) PDE10APIK3CDCHEK1VHLEGLN2
SCHEMBL21021244 0.84 PDE10A (0.40) PDE10APIK3CDCHEK1VHLEGLN2
SCHEMBL17539132 0.84 PDE10A (0.42) PDE10APIK3CDCHEK1VHLEGLN2
SCHEMBL17407892 0.81 DGAT1 (0.53) PDE10AMAP4K4DGAT1TRPA1ALDH1A1
SCHEMBL17502178 0.79 ALDH1A1 (0.50) PDE10APIK3CDCHEK1EGLN2PIK3CA
SCHEMBL7090254 0.78 MAP4K4 (0.55) PDE10APIK3CDMAP4K4KDM4EMEN1
SCHEMBL7086299 0.77 MYC (0.47) PDE10AMAP4K4MYCGRM2
SCHEMBL7085079 0.76 USP7 (0.40) PDE10AMAP4K4KDM4EMEN1NPC1
SCHEMBL7086055 0.75 PIK3CD (0.52) PDE10APIK3CDMAP4K4KDM4EMEN1
SCHEMBL7089509 0.75 CYP2A6 (0.44) MAP4K4KDM4EMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP claimed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP claimed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP disclosed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed