SCHEMBL7086650

SCHEMBL7086650

Nc1ccc(N)c(-c2cnccc2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
KDM4C Q9H3R0 2/20 0.39
PDE10A Q9Y233 1/20 0.38
IMPDH2 P12268 2/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL7085320 0.86 EP300 (0.44) EP300KAT2BKAT8KDM4CPDE10A
SCHEMBL7085966 0.85 GAA (0.43) EP300KAT2BKAT8IMPDH2KDM4E
SCHEMBL7086302 0.82 ABL1 (0.44) PDE10ACASP1CYP1A2CYP3A4CYP2D6
SCHEMBL7085653 0.79 AOC1 (0.39) EP300KAT2BKAT8KDM4CIMPDH2
SCHEMBL7086482 0.79 GAA (0.47) IMPDH2GAACASP1CYP1A2CYP3A4
SCHEMBL7085707 0.79 ADRA2B (0.37) IMPDH2GAACYP1A2CYP3A4CYP2D6
SCHEMBL6572324 0.78 PDE10A (0.54) EP300KAT2BKAT8KDM4CPDE10A
SCHEMBL13098413 0.78 RPS6KA3 (0.50) EP300KAT2BKAT8KDM4ECYP1A2
SCHEMBL7086643 0.75 NUDT1 (0.44) IMPDH2GAACYP1A2CYP3A4CYP2D6
SCHEMBL7085469 0.75 GAA (0.52) IMPDH2GAACASP1CYP1A2CYP3A4

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