SCHEMBL6574544

SCHEMBL6574544

COCCN(CCOC)c1ccc(N)c(-c2cc(OC)ccc2C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ERN1 O75460 2/20 0.36
NCF1 P14598 1/20 0.35
MAOB P27338 2/20 0.34
RELA Q04206 2/20 0.34
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6571158 0.91 ALDH1A1 (0.40) ALDH1A1L3MBTL1TRIM24TYRTRIM33
SCHEMBL6570789 0.88 ALDH1A1 (0.43) ALDH1A1L3MBTL1TRIM24TYRTRIM33
SCHEMBL6571801 0.84 ALDH1A1 (0.37) ALDH1A1L3MBTL1ERN1
SCHEMBL6570806 0.83 ALDH1A1 (0.42) ALDH1A1MAPTCYP3A4
SCHEMBL6571019 0.80 ALDH1A1 (0.36) ALDH1A1L3MBTL1KDM4E
SCHEMBL6574718 0.79 ERN1 (0.42) ALDH1A1L3MBTL1TRIM24TYRTRIM33
SCHEMBL6572640 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1TRIM24TYRTRIM33
SCHEMBL6572323 0.79 ALOX15 (0.40) ALDH1A1RELAMAPTCYP1A2CYP2C19
SCHEMBL19287989 0.77 ALDH1A1 (0.47) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL6571343 0.77 FDPS (0.43) ALDH1A1L3MBTL1TRIM24TRIM33MAPT

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