SCHEMBL6574372

SCHEMBL6574372

CC(C)N(C(=O)c1ccccc1-c1cc(N)ccc1N(CCO)CCO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
PABPC1 P11940 1/20 0.43
NPSR1 Q6W5P4 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPRC P08575 2/20 0.35
NSD2 O96028 2/20 0.35
HTT P42858 2/20 0.35
GALK1 P51570 2/20 0.35
BLM P54132 2/20 0.35
KCNH2 Q12809 2/20 0.35
APAF1 O14727 1/20 0.35

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
SCHEMBL6573305 0.88 MEN1 (0.37) MEN1KMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL6575117 0.83 HTT (0.42) MEN1KMT2APABPC1ALDH1A1CYP3A4
SCHEMBL6572087 0.81 MEN1 (0.37) MEN1KMT2APABPC1ALDH1A1POLB
SCHEMBL6570829 0.79 NPSR1 (0.39) MEN1KMT2APABPC1NPSR1SMN1; SMN2
SCHEMBL6570701 0.76 PLA2G7 (0.43) MEN1KMT2APABPC1NPSR1SMN1; SMN2
SCHEMBL6572419 0.74 MEN1 (0.40) MEN1KMT2APABPC1NPSR1SMN1; SMN2
SCHEMBL6572103 0.74 MEN1 (0.38) MEN1KMT2APABPC1NPSR1SMN1; SMN2
SCHEMBL6574139 0.73 PLA2G7 (0.50) MEN1KMT2APABPC1SMN1; SMN2ALDH1A1
SCHEMBL6573270 0.73 MEN1 (0.39) MEN1KMT2APABPC1NPSR1SMN1; SMN2
SCHEMBL6571427 0.73 MEN1 (0.44) MEN1KMT2APABPC1NPSR1SMN1; 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 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