SCHEMBL6572203

SCHEMBL6572203

Nc1ccc(NCCO)c(-c2cc(O)ccc2O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
NPC1 O15118 3/20 0.37
PDE10A Q9Y233 1/20 0.36
FTO Q9C0B1 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
USP2 O75604 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
RECQL P46063 2/20 0.35
BLM P54132 2/20 0.35
ALOX15 P16050 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL6572408 0.94 PDE10A (0.40) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL6572017 0.90 ALDH1A1 (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6573377 0.88 ALDH1A1 (0.38) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6572599 0.84 KMT2A (0.36) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6572743 0.84 TOP2B (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6571342 0.83 USP7 (0.40) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6571095 0.81 NPC1 (0.34) NPC1PDE10ALCK
SCHEMBL6573315 0.80 KMT2A (0.37) ALDH1A1KMT2ATDP1RECQLCYP2D6
SCHEMBL6573241 0.79 ABCB1 (0.36) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6573543 0.79 PDE10A (0.54) KDM4EALDH1A1GAAHPGDNPC1

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