SCHEMBL6571343

SCHEMBL6571343

COCCN(CCOC)c1ccc(N)c(-c2cc(C=O)ccc2OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
ALDH1A1 P00352 12/20 0.41
TSHR P16473 1/20 0.41
AOX1 Q06278 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 4/20 0.36
TRIM24 O15164 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL6572034 0.88 ALDH1A1 (0.42) FDPSALDH1A1TSHRAOX1L3MBTL1
SCHEMBL6570806 0.83 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6571146 0.83 ALDH1A1 (0.40) FDPSALDH1A1L3MBTL1
SCHEMBL6574104 0.82 LMNA (0.45) ALDH1A1L3MBTL1MAPTLMNAHTT
SCHEMBL6572544 0.82 MGAM (0.40) ALDH1A1TSHRL3MBTL1MAPTLMNA
SCHEMBL6571532 0.80 HTR7 (0.44) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL6570954 0.80 CA12 (0.34) ALDH1A1L3MBTL1TRIM24TDP1TRIM33
SCHEMBL6574535 0.79 FDPS (0.43) FDPSALDH1A1TSHRAOX1L3MBTL1
SCHEMBL6572443 0.78 AOC3 (0.36) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL6571801 0.77 ALDH1A1 (0.37) ALDH1A1L3MBTL1SMN1; SMN2HTTHPGD

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