SCHEMBL7085350

SCHEMBL7085350

N#Cc1cncc(-c2cc(N)ccc2N)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
USP7 Q93009 2/20 0.43
CYP1A2 P05177 1/20 0.39
METAP2 P50579 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
LRRK2 Q5S007 1/20 0.37
NPY5R Q15761 1/20 0.36
ADORA1 P30542 1/20 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
Hydrochloric Acid SCHEMBL7133798 0.98 MAP4K4 (0.44) MAP4K4CYP11B1CYP11B2USP7CYP1A2
Hydrochloric Acid SCHEMBL7085454 0.98 MAP4K4 (0.44) MAP4K4CYP11B1CYP11B2USP7CYP1A2
SCHEMBL17591649 0.84 USP7 (0.44) MAP4K4CYP11B1CYP11B2USP7CYP1A2
SCHEMBL17407885 0.81 CYP1A2 (0.55) MAP4K4CYP11B1CYP11B2USP7CYP1A2
SCHEMBL30725703 0.80 CYP11B2 (0.57) MAP4K4CYP11B1CYP11B2USP7IRAK4
SCHEMBL21044264 0.80 CYP11B2 (0.57) MAP4K4CYP11B1CYP11B2USP7IRAK4
SCHEMBL7085557 0.79 MEN1 (0.40) MAP4K4CYP11B1CYP11B2IRAK4ROCK2
Hydrochloric Acid SCHEMBL6574831 0.76 MMP3 (0.39) MAP4K4CYP11B2
Hydrochloric Acid SCHEMBL6574813 0.75 ADRA2C (0.51) MAP4K4USP7IRAK4LRRK2ADORA1
SCHEMBL7091233 0.75 IDO1 (0.42) CYP11B1CYP11B2BACE1BACE2PRMT5

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