SCHEMBL7085552

SCHEMBL7085552

Nc1ccc(NCCO)c(-c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 4/20 0.50
MKNK1 Q9BUB5 3/20 0.50
AXL P30530 2/20 0.50
MEN1 O00255 1/20 0.50
PSIP1 O75475 1/20 0.50
DYRK1A Q13627 3/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
MAPK1 P28482 1/20 0.47
AKT2 P31751 1/20 0.47
FLT4 P35916 1/20 0.47
CDK8 P49336 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL7085071 0.85 PRKCD (0.42) DYRK1AJAK2ROCK2MAP4K4PIM1
SCHEMBL6570922 0.85 PTGDR2 (0.44) MAP4K4MAPK1MINK1CLK4ALDH1A1
Hydrochloric Acid SCHEMBL6573152 0.84 PTGDR2 (0.43) MAP4K4MAPK1MINK1CLK4ALDH1A1
SCHEMBL6574148 0.84 KDM4E (0.41) MAP4K4ALDH1A1MAPTCYP3A4FYN
SCHEMBL6571957 0.82 PRSS1 (0.38) ALDH1A1HTTCYP3A4
SCHEMBL6571430 0.81 PRSS1 (0.37) JAK2AURKBALDH1A1
SCHEMBL6570749 0.79 PIK3CG (0.41) MKNK2DYRK1AROCK2MAP4K4PIM1
SCHEMBL6571342 0.78 USP7 (0.40) DYRK1AALDH1A1HPGDMAPTDYRK1B
SCHEMBL6570636 0.78 TAAR1 (0.45) CDK2GSK3BMAPTFYN
SCHEMBL6573384 0.78 ADORA1 (0.51) CDK5STK3ALDH1A1TDO2MAPT

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