SCHEMBL6572585

SCHEMBL6572585

Nc1ccc(NCCO)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
KCNH3 Q9ULD8 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
MMP14 P50281 1/20 0.39
BLM P54132 1/20 0.39
CASP6 P55212 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
SCHEMBL6573335 0.90 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDKCNH3
SCHEMBL6572047 0.88 FCGR3B (0.40) ALDH1A1KDM4EPOLBMEN1MMP14
SCHEMBL6571844 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EGLAGAA
SCHEMBL6572728 0.87 FCGR3B (0.38) ALDH1A1RAB9APOLBMEN1MMP14
SCHEMBL6570876 0.86 SRC (0.39) MAP4K4MINK1SRPK1CLK4FNTA
SCHEMBL6571323 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EGAAKCNH3L3MBTL1
SCHEMBL6572942 0.85 APP (0.41) ALDH1A1HSD17B10KDM4EGAARECQL
SCHEMBL6572249 0.84 MAPT (0.44) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL6574702 0.84 ABL1 (0.36) ALDH1A1RECQLPOLBMEN1MMP14
SCHEMBL6572071 0.84 NPC1 (0.39) ALDH1A1KDM4EHPGDGAAL3MBTL1

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