SCHEMBL6570737

SCHEMBL6570737

COc1ccc(Cl)cc1-c1cc(N)ccc1N(CCO)CCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.43
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 1/20 0.40
LRRK2 Q5S007 1/20 0.39
AGPAT2 O15120 8/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC9A1 P19634 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL6572154 0.88 MEN1 (0.47) MEN1LMNAKMT2AL3MBTL1RECQL
SCHEMBL6572405 0.86 HDAC4 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6571296 0.85 GAA (0.40) MEN1LMNAKMT2AL3MBTL1RECQL
SCHEMBL6571978 0.83 HTR7 (0.41) MEN1KMT2AGAAMAPTHTT
SCHEMBL6571940 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHPGD
SCHEMBL6573059 0.81 HDAC4 (0.40) LMNAALDH1A1KDM4EGAAMAPT
SCHEMBL6571550 0.80 CRHR1 (0.42) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL6572124 0.79 DYRK1A (0.41) L3MBTL1ALDH1A1GAAMAPTHTT
SCHEMBL8107403 0.78 HDAC4 (0.39) MEN1LMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL6571903 0.78 KMT2A (0.38) MEN1LMNAKMT2AALDH1A1KDM4E

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