SCHEMBL6572307

SCHEMBL6572307

Nc1ccc(N(CCO)CCO)c(-c2ccc(C=O)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 5/20 0.38
ALDH1A3 P47895 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RET P07949 1/20 0.33
DRD1 P21728 3/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
LCK P06239 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
PRKCI P41743 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL6570947 0.87 TRIM24 (0.37) ALDH3A1ALDH1A3ALDH1A1MEN1PABPC1
SCHEMBL6570840 0.86 ALDH1A1 (0.36) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6572313 0.86 ALDH1A1 (0.31) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL6572247 0.84 ALDH3A1 (0.38) ALDH3A1ALDH1A3ALDH1A1RETDRD1
SCHEMBL6571486 0.82 USP7 (0.40) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL6570864 0.81 PIK3CG (0.34) ALDH3A1ALDH1A3ALDH1A1RETMEN1
SCHEMBL7465691 0.81 ALDH1A1 (0.31) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL6574742 0.81 GCGR (0.37) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6572686 0.81 ALDH1A1 (0.33) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6570740 0.81 ALDH1A1 (0.38) ALDH1A1MEN1PABPC1KMT2A

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