SCHEMBL6572983

SCHEMBL6572983

Nc1ccc(NCCO)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
MAP4K4 O95819 5/20 0.40
KDM4E B2RXH2 5/20 0.39
GFER P55789 4/20 0.39
GAA P10253 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
PLEC Q15149 1/20 0.39
PGGT1B P53609 1/20 0.39
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PTGER4 P35408 1/20 0.38
MEN1 O00255 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 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
SCHEMBL6572594 0.85 PTGER4 (0.57) FNTAFNTBMAP4K4KDM4EGFER
SCHEMBL6572585 0.83 ALDH1A1 (0.42) FNTAFNTBMAP4K4KDM4EGAA
SCHEMBL6572728 0.83 FCGR3B (0.38) MAPTALDH1A1KMT2AMEN1
SCHEMBL6572942 0.82 APP (0.41) KDM4EGFERGAAMAPTALDH1A1
SCHEMBL6575398 0.81 FNTA (0.47) FNTAFNTBMAP4K4KDM4EGFER
SCHEMBL6572071 0.81 NPC1 (0.39) MAP4K4KDM4EGFERGAAMAPT
SCHEMBL6572249 0.81 MAPT (0.44) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6574987 0.81 MAP4K4 (0.43) MAP4K4KDM4EGFERGAAMAPT
SCHEMBL1663499 0.79 TSHR (0.50) FNTAFNTBALDH1A1KMT2AMEN1
SCHEMBL6571323 0.79 ALDH1A1 (0.35) KDM4EGAAMAPTALDH1A1KMT2A

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