SCHEMBL6572518

SCHEMBL6572518

CN(C)c1ccc(-c2cc(N(CCO)CCO)ccc2N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP3A4 P08684 1/20 0.37
S100B P04271 1/20 0.37
PRKCI P41743 1/20 0.36
PRKCZ Q05513 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35
ADK P55263 1/20 0.35
NPC1 O15118 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
SCHEMBL6572316 0.88 S100B (0.40) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6571892 0.87 MAPT (0.37) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6574636 0.86 KMT2A (0.42) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6572200 0.86 USP7 (0.40) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6573029 0.84 HRH3 (0.38) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6571049 0.84 KMT2A (0.35) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6572320 0.84 KMT2A (0.35) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6571525 0.84 KMT2A (0.50) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6571445 0.84 KMT2A (0.43) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6570967 0.84 RELA (0.38) MAPTMAPK1TP53ALDH1A1CYP3A4

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