SCHEMBL6572450

SCHEMBL6572450

Nc1ccc(NCC(O)CO)c(-c2cccc(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.37
PRKCA P17252 1/20 0.37
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDO2 P48775 1/20 0.35
ADORA2A P29274 1/20 0.35
STK4 Q13043 2/20 0.35
STK3 Q13188 2/20 0.35
LRRK2 Q5S007 2/20 0.35
DHFR P00374 1/20 0.35
NUDT1 P36639 1/20 0.34
FAAH O00519 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL6571859 0.91 KDM4E (0.37) ALDH1A1
SCHEMBL6571824 0.87 CYP1A2 (0.34) PRKCAGSK3B
SCHEMBL6571461 0.87 CHEK1 (0.41)
SCHEMBL6572232 0.86 PIK3CG (0.38) ADORA1ALDH1A1STK3LRRK2
Hydrochloric Acid SCHEMBL6572537 0.85 CHEK1 (0.40)
SCHEMBL6571424 0.85 EGFR (0.39)
SCHEMBL6571398 0.85 TAAR1 (0.41) PRKCAGSK3B
SCHEMBL6574847 0.84 PDE3B (0.37)
SCHEMBL6572042 0.83 PDE3B (0.34)
SCHEMBL6570761 0.82 DYRK3 (0.35)

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