SCHEMBL6572545

SCHEMBL6572545

Nc1ccc(N(CCO)CCO)c(-c2cc(O)cc(O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL6571486 0.89 USP7 (0.40) ABL1ABCB1BCRALDH1A1MEN1
SCHEMBL6571885 0.87 ALDH1A1 (0.34) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6570840 0.87 ALDH1A1 (0.36) ALDH1A1GAAMEN1PABPC1KMT2A
SCHEMBL6572182 0.87 PIK3CG (0.41) ABL1ALDH1A1MEN1PABPC1KMT2A
SCHEMBL6572290 0.83 TP53 (0.35) ALDH1A1MEN1PABPC1KMT2APTGDR2
Hydrochloric Acid SCHEMBL6572997 0.83 PTGDR2 (0.43) ALDH1A1MEN1PABPC1KMT2ACYP19A1
SCHEMBL6571883 0.82 GAA (0.33) GAACYP19A1PDE10A
SCHEMBL6572686 0.81 ALDH1A1 (0.33) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6574742 0.81 GCGR (0.37) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL7086041 0.81 IMPDH2 (0.41) ALDH1A1MEN1PABPC1KMT2ACYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed