SCHEMBL6572239

SCHEMBL6572239

Nc1ccc(NCC(O)CO)cc1-c1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 1/20 0.35
NR1I2 O75469 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
MAPK14 Q16539 2/20 0.33
IDH2 P48735 3/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
TLR4 O00206 1/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
CSNK1A1 P48729 1/20 0.32

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
SCHEMBL6574224 0.90 ALDH1A1 (0.38) MAPTALDH1A1MAPK14IDH2FNTA
SCHEMBL6573389 0.86 KLKB1 (0.32) MAPK14IDH2FNTAFNTBPGGT1B
SCHEMBL6571914 0.86 HSP90AA1 (0.33) ALDH1A1MAPK14IDH2FNTAFNTB
SCHEMBL6571366 0.85 MAPT (0.38) MAPTALDH1A1MAPK14
SCHEMBL6572472 0.85 PDE10A (0.33) IDH2
SCHEMBL6570891 0.85 ALDH1A1 (0.33) MAPTALDH1A1MAPK14IDH2FNTA
SCHEMBL6572503 0.85 FNTA (0.42) MAPTALDH1A1FNTAFNTBPGGT1B
SCHEMBL6572184 0.83 IDH2 (0.33) MAPTALDH1A1MAPK14IDH2FNTA
SCHEMBL6572016 0.82 AGTR1 (0.42) MAPTALDH1A1SMN1; SMN2TLR4MEN1
SCHEMBL6574986 0.81 BCHE (0.39) ALDH1A1IDH2FNTAFNTBPGGT1B

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