SCHEMBL6572618

SCHEMBL6572618

CCOc1ccc(-c2cc(N)ccc2N(CCO)CCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 4/20 0.42
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
TP53 P04637 3/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 3/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
NQO1 P15559 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.36
TERT O14746 1/20 0.36

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
SCHEMBL6572427 0.87 TDP1 (0.45) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL6571974 0.86 ALDH1A1 (0.42) TDP1MAPTTP53CYP3A4NPC1
SCHEMBL6570840 0.84 ALDH1A1 (0.36) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL6570740 0.81 ALDH1A1 (0.38) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL6571486 0.80 USP7 (0.40) MAPTMEN1KMT2ATP53CYP3A4
SCHEMBL6573269 0.79 ALDH1A1 (0.43) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL6572686 0.79 ALDH1A1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL6574742 0.79 GCGR (0.37) TDP1MAPTMEN1KMT2ANPC1
SCHEMBL6572396 0.79 ALDH1A1 (0.36) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL6571903 0.79 KMT2A (0.38) MAPTMEN1KMT2ATP53NPC1

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 3 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