SCHEMBL6572476

SCHEMBL6572476

Nc1ccc(NCCO)c(-c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
PKM P14618 2/20 0.46
MAPT P10636 4/20 0.45
RAB9A P51151 2/20 0.44
KAT2B Q92831 2/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRSS1 P07477 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL6572773 0.83 MAPT (0.41) ALDH1A1TDP1TSHRMAPTKAT2B
SCHEMBL29390674 0.82 ALDH1A1 (0.62) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL109433 0.82 ALDH1A1 (0.62) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL10580375 0.79 MAPT (0.54) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL6574155 0.79 ALDH1A1 (0.41) ALDH1A1TDP1TSHRRAB9AKMT2A
SCHEMBL6572743 0.78 TOP2B (0.39) ALDH1A1TDP1TSHRMAPTRAB9A
SCHEMBL6571992 0.78 PKM (0.52) ALDH1A1TDP1TSHRPKMMAPT
SCHEMBL6571902 0.77 TOP2B (0.38) ALDH1A1TDP1TSHRMAPTRAB9A
SCHEMBL6572950 0.77 PLA2G7 (0.50) ALDH1A1TDP1MAPTRAB9AKMT2A
SCHEMBL6572757 0.77 PLA2G7 (0.43) ALDH1A1TDP1TSHRMAPTRAB9A

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