SCHEMBL6571444

SCHEMBL6571444

Nc1ccc(NCC(O)CO)c(-c2c(N)cccc2N)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
VDR P11473 2/20 0.34
IDH2 P48735 3/20 0.33
CHEK1 O14757 1/20 0.32
CDK1 P06493 1/20 0.32
LMNA P02545 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL6573275 0.88 AR (0.33) ARVDRIDH2CHEK1CDK1
SCHEMBL6570912 0.86 ALDH1A1 (0.36) LMNAMAPK14
SCHEMBL6570862 0.85 LMNA (0.35) ARVDRIDH2LMNAMAPK14
SCHEMBL6571859 0.84 KDM4E (0.37) IDH2CHEK1CDK1
SCHEMBL6573224 0.84 TOP2B (0.36) ARVDRIDH2LMNA
SCHEMBL6570818 0.84 AR (0.33) ARVDRIDH2
SCHEMBL6573393 0.83 AGTR1 (0.39) ARVDRLMNA
SCHEMBL6572349 0.83 AR (0.33) ARVDRLMNAMAPK14
SCHEMBL6571461 0.83 CHEK1 (0.41) CHEK1CDK1
SCHEMBL6570871 0.83 AR (0.36) ARVDRLMNA

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