SCHEMBL6572017

SCHEMBL6572017

Nc1ccc(NCCO)c(-c2ccc(O)cc2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
FTO Q9C0B1 1/20 0.36
ALOX5 P09917 1/20 0.36
KMT2A Q03164 4/20 0.34
GFER P55789 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TYR P14679 2/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL6572599 0.92 KMT2A (0.36) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6572203 0.90 KDM4E (0.38) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6573377 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6572408 0.86 PDE10A (0.40) ALDH1A1KDM4EGAAHPGDFTO
SCHEMBL6572743 0.85 TOP2B (0.39) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6571342 0.84 USP7 (0.40) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6574138 0.83 PTGER4 (0.45) ALDH1A1KDM4EGAAGFERLMNA
SCHEMBL6573252 0.83 PRSS1 (0.36) ALDH1A1KDM4EFTOKMT2ATDP1
SCHEMBL6570894 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6573315 0.81 KMT2A (0.37) ALDH1A1KMT2ATDP1RECQLCYP2D6

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