SCHEMBL7086529

SCHEMBL7086529

Nc1ccc(N(CCO)CCO)c(-c2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.46
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 2/20 0.45
CYP19A1 P11511 1/20 0.45
TDO2 P48775 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NTRK1 P04629 1/20 0.38
PIK3CA P42336 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP2A6 P11509 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 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
SCHEMBL7086041 0.85 IMPDH2 (0.41) MEN1CYP11B1CYP11B2CYP19A1MAPT
Hydrochloric Acid SCHEMBL6572997 0.84 PTGDR2 (0.43) MEN1CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL6574565 0.82 MAPT (0.40) AXLMKNK1MKNK2MEN1PSIP1
SCHEMBL6570840 0.82 ALDH1A1 (0.36) MEN1MAPTHTTALDH1A1CYP3A4
SCHEMBL6571885 0.79 ALDH1A1 (0.34) MEN1ALDH1A1
SCHEMBL6572182 0.79 PIK3CG (0.41) MKNK1MKNK2MEN1PIK3CADYRK1A
SCHEMBL6571486 0.78 USP7 (0.40) MEN1MAPTDYRK1AALDH1A1CYP3A4
SCHEMBL6572172 0.78 STK4 (0.45) MEN1TDO2ALDH1A1
SCHEMBL6570856 0.78 ALDH1A1 (0.38) MEN1MAPTHTTNTRK1DYRK1A
SCHEMBL6572491 0.78 MAPT (0.37) MEN1MAPTHTTALDH1A1SMN1; SMN2

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