SCHEMBL6573135

SCHEMBL6573135

Nc1ccc(NCC(O)CO)cc1-c1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
PLK4 O00444 2/20 0.36
CDK8 P49336 2/20 0.36
CDK7 P50613 2/20 0.36
CDK9 P50750 2/20 0.36
AURKB Q96GD4 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
MAP4K4 O95819 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36

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
SCHEMBL6570839 0.88 FNTA (0.39) FNTAFNTBPGGT1BPLK4CDK8
SCHEMBL6573158 0.88 ABL1 (0.33) FNTAFNTBPGGT1BPLK4CDK8
SCHEMBL6572503 0.88 FNTA (0.42) FNTAFNTBPGGT1BPLK4CDK8
SCHEMBL6574986 0.87 BCHE (0.39) FNTAFNTBPGGT1BPLK4CDK8
SCHEMBL6570891 0.85 ALDH1A1 (0.33) FNTAFNTBPGGT1BPLK4CDK8
SCHEMBL6573479 0.85
SCHEMBL6571368 0.83 MAPK1 (0.44) FNTAFNTBPGGT1BSRCMAPK1
SCHEMBL6571846 0.82 CYP1A2 (0.32) FNTAFNTBPGGT1BPLK4CDK8
SCHEMBL6571914 0.82 HSP90AA1 (0.33) FNTAFNTBPGGT1BIDH2CYP3A4
SCHEMBL6570876 0.81 SRC (0.39) FNTAFNTBPGGT1BPLK4CDK8

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