SCHEMBL6572330

SCHEMBL6572330

CNc1ccc(N)cc1-c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR2A P28223 2/20 0.41
HTR1E P28566 2/20 0.41
HTR2B P41595 2/20 0.41
HTR5A P47898 2/20 0.41
HTR6 P50406 2/20 0.41

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
SCHEMBL6572605 0.84 APP (0.43) HTR7ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6571210 0.81 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1L3MBTL1CYP3A4
SCHEMBL6867123 0.81 ALDH1A1 (0.51) HTR7ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6573754 0.80 KDM4E (0.40) HTR7ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6572270 0.80 ALDH1A1 (0.50) HTR7ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL3784887 0.80 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1L3MBTL1HSD17B10
SCHEMBL6570989 0.80 ALDH1A1 (0.50) HTR7ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6574773 0.78 MAPT (0.40) ALDH1A1MAPTMAPK1HSD17B10GAA
SCHEMBL6572186 0.78 PLA2G7 (0.50) ALDH1A1MAPTMAPK1HSD17B10CYP1A2
Hydrochloric Acid SCHEMBL6574711 0.78 ALDH1A1 (0.48) HTR7ALDH1A1MAPTMAPK1L3MBTL1

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