SCHEMBL7085463

SCHEMBL7085463

N#Cc1ccnc(-c2cc(N)ccc2N)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.40
MAP3K14 Q99558 2/20 0.37
NPY5R Q15761 6/20 0.36
KCNH2 Q12809 4/20 0.36
ASIC3 Q9UHC3 2/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
CDC7 O00311 4/20 0.33
CDK2 P24941 2/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MDM4 O15151 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL17407884 0.81 NOS3 (0.41) KDM4CNPY5RKCNH2CLK4
SCHEMBL7089309 0.81 ASIC3 (0.52) KDM4CASIC3KDM1A
SCHEMBL22211412 0.79 KDM4C (0.34) KDM4CMAP3K14NPY5RKCNH2KDM1A
SCHEMBL7085693 0.77 KDM1A (0.45) KCNH2KDM1AMAOA
SCHEMBL9792784 0.76 NPY5R (0.45) KDM4CNPY5RKCNH2CLK4
SCHEMBL29500425 0.76 NPY5R (0.45) KDM4CNPY5RKCNH2CLK4
SCHEMBL7085687 0.75 CCR1 (0.55) KDM4CASIC3KDM1A
SCHEMBL7088953 0.75 KDM1A (0.43) KDM4CMAP3K14ASIC3KDM1A
SCHEMBL7089081 0.75 IDO1 (0.42) KDM4CASIC3KDM1ACDK2
SCHEMBL7088671 0.75 KDM4C (0.49) KDM4CASIC3KDM1A

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 6 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
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US 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