SCHEMBL6572193

SCHEMBL6572193

COCCN(CCOC)c1ccc(N)cc1-c1ccc(OC)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
RPS6KA2 Q15349 1/20 0.35
CYP19A1 P11511 1/20 0.34
CRHR1 P34998 4/20 0.34
RET P07949 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL6572640 0.91 ALDH1A1 (0.40) ERN1GAAALDH1A1KDM4ENPC1
SCHEMBL6570775 0.88 ERN1 (0.42) ERN1GAAALDH1A1KDM4ENPC1
SCHEMBL6572659 0.87 CRHR1 (0.33) ALDH1A1NPC1RAB9ACRHR1
SCHEMBL6574203 0.84 CRHR1 (0.34) ERN1GAAALDH1A1NPC1RAB9A
SCHEMBL6570817 0.81 HDAC4 (0.39) GAAALDH1A1CYP19A1CRHR1MAPT
SCHEMBL6570844 0.79 TRIM24 (0.42) ERN1GAAALDH1A1KDM4ENPC1
SCHEMBL6571158 0.79 ALDH1A1 (0.40) ERN1ALDH1A1KDM4ETRIM24TYR
SCHEMBL6572015 0.79 TDP1 (0.41) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL6573255 0.77 CRHR1 (0.36) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL6574535 0.77 FDPS (0.43) ALDH1A1TRIM24TRIM33CYP19A1CYP1A2

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 4 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
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