SCHEMBL6572640

SCHEMBL6572640

COCCN(CCOC)c1ccc(N)cc1-c1cc(OC)ccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
GAA P10253 1/20 0.38
ERN1 O75460 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAOB P27338 2/20 0.34
CGAS Q8N884 1/20 0.33
CTSA P10619 1/20 0.33
RET P07949 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
NCF1 P14598 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
SCHEMBL6572193 0.91 ERN1 (0.39) ALDH1A1TRIM24TYRTRIM33GAA
SCHEMBL6570844 0.88 TRIM24 (0.42) ALDH1A1TRIM24TYRTRIM33GAA
SCHEMBL6574203 0.84 CRHR1 (0.34) ALDH1A1GAAERN1CYP19A1NPC1
SCHEMBL6570817 0.83 HDAC4 (0.39) ALDH1A1GAACYP19A1MAPT
SCHEMBL6572659 0.80 CRHR1 (0.33) ALDH1A1NPC1RAB9A
SCHEMBL6574544 0.79 ALDH1A1 (0.43) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL6570775 0.79 ERN1 (0.42) ALDH1A1TRIM24TYRTRIM33GAA
SCHEMBL6572015 0.79 TDP1 (0.41) ALDH1A1GAAKDM4ENPC1RAB9A
SCHEMBL6574535 0.77 FDPS (0.43) ALDH1A1TRIM24TRIM33L3MBTL1CYP19A1
SCHEMBL6571312 0.76 ALDH1A1 (0.44) ALDH1A1GAACYP19A1KDM4EMAOB

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