SCHEMBL6574104

SCHEMBL6574104

COCCN(CCOC)c1ccc(N)c(-c2cc(Cl)ccc2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CRHR1 P34998 3/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
AHR P35869 1/20 0.37
AGPAT2 O15120 7/20 0.37
LRRK2 Q5S007 1/20 0.37
SLC9A1 P19634 1/20 0.37

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
SCHEMBL6572303 0.88 LMNA (0.45) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6570806 0.86 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTCRHR1
SCHEMBL6572544 0.85 MGAM (0.40) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6572395 0.85 CRHR1 (0.48) HTTCRHR1
SCHEMBL6571532 0.83 HTR7 (0.44) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL6571343 0.82 FDPS (0.43) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6574728 0.82 KMT2A (0.41) LMNAMEN1KMT2ANPSR1CRHR1
SCHEMBL6572443 0.81 AOC3 (0.36) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL6572811 0.79 CRHR1 (0.37) MEN1KMT2AMAPTCRHR1
SCHEMBL6572957 0.79 DYRK1A (0.41) MEN1KMT2AL3MBTL1ALDH1A1GAA

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