SCHEMBL7085653

SCHEMBL7085653

Nc1ccc(N)c(-c2ccncc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.39
AOC3 Q16853 2/20 0.39
IMPDH2 P12268 4/20 0.39
PRKCZ Q05513 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.37
CYP2D6 P10635 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
THRB P10828 1/20 0.37
KDM4D Q6B0I6 1/20 0.37

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
SCHEMBL7085966 0.86 GAA (0.43) AOC1AOC3IMPDH2PRKCZGAA
SCHEMBL7085469 0.83 GAA (0.52) AOC3IMPDH2PRKCZGAACYP2D6
SCHEMBL7085320 0.83 EP300 (0.44) IMPDH2PRKCZGAAMEN1CYP2D6
SCHEMBL7085997 0.83 CCNC (0.41) IMPDH2PRKCZCYP2D6ALDH1A1MAPT
SCHEMBL7086643 0.83 NUDT1 (0.44) AOC3IMPDH2PRKCZGAACYP2D6
SCHEMBL17506374 0.82 AOC1 (0.52) AOC1AOC3IMPDH2GAAMEN1
SCHEMBL7086482 0.79 GAA (0.47) IMPDH2PRKCZGAACYP2D6ALDH1A1
SCHEMBL7085707 0.79 ADRA2B (0.37) IMPDH2PRKCZGAACYP2D6MAPT
SCHEMBL7086302 0.79 ABL1 (0.44) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7086650 0.79 EP300 (0.44) IMPDH2PRKCZGAAMEN1CYP2D6

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