SCHEMBL6571097

SCHEMBL6571097

Nc1ccc(NCC(O)CO)c(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.45
FNTB P49356 7/20 0.45
PGGT1B P53609 6/20 0.45
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
PLEC Q15149 1/20 0.39
KMO O15229 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL6571545 0.88 KDM4E (0.42) FNTAFNTBKDM4EALDH1A1GAA
SCHEMBL6571859 0.88 KDM4E (0.37) KDM4EALDH1A1MAPT
SCHEMBL6571461 0.86 CHEK1 (0.41)
Hydrochloric Acid SCHEMBL6572537 0.85 CHEK1 (0.40)
SCHEMBL6572232 0.83 PIK3CG (0.38) ALDH1A1
SCHEMBL6575149 0.83 FNTA (0.43) FNTAFNTBPGGT1BKDM4EALDH1A1
SCHEMBL6572450 0.82 ADORA1 (0.37) ALDH1A1
SCHEMBL6571424 0.82 EGFR (0.39) KDM4EMAPT
SCHEMBL6571398 0.82 TAAR1 (0.41)
SCHEMBL6570761 0.81 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 2 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
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