SCHEMBL6573158

SCHEMBL6573158

Nc1ccc(NCC(O)CO)cc1-c1cc(O)cc(O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
IDH2 P48735 3/20 0.31
GSK3B P49841 3/20 0.31
PRKCA P17252 2/20 0.31
BCHE P06276 1/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
STK16 O75716 1/20 0.31
EIF2AK2 P19525 1/20 0.31
CDK2 P24941 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPK4 P31152 1/20 0.31
TTK P33981 1/20 0.31
CDK8 P49336 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
SCHEMBL6573479 0.93
SCHEMBL6574986 0.90 BCHE (0.39) FNTAFNTBPGGT1BIDH2GSK3B
SCHEMBL6573135 0.88 FNTA (0.38) FNTAFNTBPGGT1BIDH2GSK3B
SCHEMBL6571600 0.87 FNTA (0.32) FNTAFNTBPGGT1BIDH2GSK3B
SCHEMBL6571846 0.86 CYP1A2 (0.32) FNTAFNTBPGGT1BIDH2GSK3B
SCHEMBL6570891 0.86 ALDH1A1 (0.33) ABL1FNTAFNTBPGGT1BIDH2
SCHEMBL6572503 0.86 FNTA (0.42) FNTAFNTBPGGT1BGSK3BPRKCA
SCHEMBL6574373 0.83 BCHE (0.40) ABL1GSK3BPRKCABCHECDK2
SCHEMBL6572113 0.83 MAPT (0.36) FNTAFNTBGSK3BPRKCAPLK4
SCHEMBL6571914 0.82 HSP90AA1 (0.33) FNTAFNTBPGGT1BIDH2BCHE

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