SCHEMBL6573389

SCHEMBL6573389

Nc1ccc(-c2cc(NCC(O)CO)ccc2N)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.32
MAPK14 Q16539 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
IDH2 P48735 3/20 0.30
EGFR P00533 2/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL6572184 0.92 IDH2 (0.33) MAPK14EGLN2FNTAFNTBPGGT1B
SCHEMBL6572472 0.91 PDE10A (0.33) IDH2
SCHEMBL6571914 0.89 HSP90AA1 (0.33) MAPK14EGLN2FNTAFNTBPGGT1B
SCHEMBL6572239 0.86 MAPT (0.36) MAPK14FNTAFNTBPGGT1BIDH2
SCHEMBL6570891 0.85 ALDH1A1 (0.33) MAPK14EGLN2FNTAFNTBPGGT1B
SCHEMBL6571846 0.85 CYP1A2 (0.32) FNTAFNTBPGGT1BIDH2
SCHEMBL6574224 0.82 ALDH1A1 (0.38) MAPK14FNTAFNTBPGGT1BIDH2
SCHEMBL6571600 0.81 FNTA (0.32) MAPK14FNTAFNTBPGGT1BIDH2
SCHEMBL6574986 0.81 BCHE (0.39) FNTAFNTBPGGT1BIDH2
SCHEMBL6573143 0.80 FCGR3B (0.36) KLKB1TSHRCASP1

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