SCHEMBL6573087

SCHEMBL6573087

COCCN(CCOC)c1ccc(N)cc1-c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.40
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL6572255 0.91 CRHR1 (0.38) CRHR1ALDH1A1MAP4K4FYN
SCHEMBL6571031 0.86 PIK3CG (0.38) CRHR1ALDH1A1MAP4K4FYNPDGFRB
SCHEMBL6572721 0.86 KDM4E (0.35) CRHR1ALDH1A1HPGDHSD17B10RAB9A
SCHEMBL6571312 0.86 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10SMN1; SMN2ABL1
SCHEMBL6571546 0.86 CRHR1 (0.42) CRHR1ALDH1A1HPGDTP53FYN
SCHEMBL6572624 0.86 MAP4K4 (0.44) CRHR1MAP4K4FYNKMT2AAOC3
SCHEMBL6571013 0.85 CRHR1 (0.38) CRHR1ALDH1A1HPGDHSD17B10RAB9A
SCHEMBL6570856 0.84 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL6572090 0.83 CRHR1 (0.34) CRHR1ALDH1A1TP53KMT2AMAPT
SCHEMBL6571473 0.83 RORB (0.42) ADORA1

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