SCHEMBL7086041

SCHEMBL7086041

Nc1ccc(N(CCO)CCO)c(-c2ccncc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.41
GCGR P47871 1/20 0.37
MAPK14 Q16539 1/20 0.37
PIK3CB P42338 1/20 0.35
CYP17A1 P05093 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
NTRK1 P04629 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PRKCI P41743 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6570840 0.87 ALDH1A1 (0.36) CYP3A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL7086529 0.85 AXL (0.46) CYP3A4CYP19A1CYP11B1CYP11B2NTRK1
SCHEMBL6571885 0.84 ALDH1A1 (0.34) ALDH1A1MEN1KMT2APABPC1
Hydrochloric Acid SCHEMBL6572997 0.83 PTGDR2 (0.43) CYP3A4CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL6571486 0.83 USP7 (0.40) CYP3A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL6572686 0.81 ALDH1A1 (0.33) ALDH1A1MEN1KMT2APABPC1
SCHEMBL6572396 0.81 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL6574565 0.81 MAPT (0.40) CYP3A4ALDH1A1MEN1KMT2AMAPT
SCHEMBL6572545 0.81 ABL1 (0.36) CYP19A1ALDH1A1MEN1KMT2APABPC1
SCHEMBL6574742 0.81 GCGR (0.37) GCGRMAPK14ALDH1A1MEN1KMT2A

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