SCHEMBL6572622

SCHEMBL6572622

COc1ccc(OC)c(-c2cc(NCCO)ccc2N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
THRB P10828 2/20 0.42
CYP3A4 P08684 1/20 0.42
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA2 P47869 2/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 2/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP6 P55212 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6573435 0.87 MAPT (0.42) ALDH1A1MAPTKMT2AMEN1THRB
SCHEMBL6573246 0.84 GAA (0.43) ALDH1A1MAPTKMT2AMEN1THRB
SCHEMBL6572389 0.84 GAA (0.49) ALDH1A1MAPTKMT2AMEN1THRB
SCHEMBL6570847 0.82 ALDH1A1 (0.39) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL6571911 0.81 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1THRB
SCHEMBL8107830 0.80 GABRG2 (0.38) ALDH1A1MAPTKMT2AMEN1THRB
SCHEMBL6573720 0.80 MEN1 (0.46) ALDH1A1MAPTKMT2AMEN1THRB
SCHEMBL6571000 0.79 NR3C1 (0.41) ALDH1A1MAPTKMT2AMEN1THRB
SCHEMBL4534380 0.79 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1THRB
SCHEMBL29358077 0.79 GAA (0.47) ALDH1A1MAPTKMT2AMEN1THRB

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