SCHEMBL6571019

SCHEMBL6571019

COCCN(CCOC)c1ccc(N)c(-c2ccc(C)cc2C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRC P12931 1/20 0.32
S100B P04271 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL6571158 0.87 ALDH1A1 (0.40) ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL6571801 0.85 ALDH1A1 (0.37) ALDH1A1L3MBTL1S100BSMN1; SMN2GAA
SCHEMBL6571901 0.85 SRC (0.36) ALDH1A1L3MBTL1SRCS100BLMNA
SCHEMBL6574544 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4E
SCHEMBL6572659 0.79 CRHR1 (0.33) ALDH1A1SRCLMNASMN1; SMN2
SCHEMBL6570859 0.78 S100B (0.37) ALDH1A1S100BLMNASMN1; SMN2
SCHEMBL6571146 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1S100B
SCHEMBL6570734 0.76 S100B (0.34) ALDH1A1L3MBTL1S100BKDM4EGAA
SCHEMBL6574718 0.75 ERN1 (0.42) ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL6571343 0.75 FDPS (0.43) ALDH1A1L3MBTL1LMNASMN1; SMN2

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