SCHEMBL6573533

SCHEMBL6573533

Nc1ccc(N)c(-c2cc(CCO)cc(N)c2CCO)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BACE1 P56817 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6572955 0.82 FCGR3B (0.33)
SCHEMBL6570744 0.79 KDM4E (0.30) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL5184993 0.79 ALDH1A1 (0.34) ALDH1A1MAPTTDP1
SCHEMBL6570837 0.77
SCHEMBL6573221 0.76 CA2 (0.42) KDM4EALDH1A1ALOX5GAAMAPT
Hydrochloric Acid SCHEMBL6570694 0.75 CA2 (0.41) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL6572335 0.73 GLA (0.30) GAA
SCHEMBL6570981 0.71
SCHEMBL4720461 0.70 ALDH1A1 (0.52) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL6572647 0.70 ALDH1A1 (0.39) KDM4EALDH1A1MAPTTDP1

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