SCHEMBL6573003

SCHEMBL6573003

COc1cccc(-c2cc(N(CCO)CCO)ccc2N)c1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
GFER P55789 1/20 0.37
GPR88 Q9GZN0 1/20 0.34
RELA Q04206 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GYS1 P13807 1/20 0.33
FGB P02675 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
ADORA2A P29274 1/20 0.33
PPARG P37231 1/20 0.33
RAB9A P51151 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL6570829 0.81 NPSR1 (0.39) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6572087 0.81 MEN1 (0.37) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6572267 0.81 HTR7 (0.41) NPSR1ALDH1A1MAPTMAPK1MEN1
SCHEMBL6572964 0.78 MAPT (0.35) NPSR1ALDH1A1MAPTMAPK1GFER
SCHEMBL6572092 0.76 CA12 (0.33) NPSR1ALDH1A1MAPTMAPK1MEN1
SCHEMBL6573626 0.74 F2 (0.35) NPSR1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL6570913 0.72 MAPT (0.35) NPSR1ALDH1A1MAPTMAPK1GFER
SCHEMBL6570985 0.72 HDAC4 (0.37)
SCHEMBL6572855 0.72 ALDH1A1 (0.42) ALDH1A1MAPTRELAMEN1KMT2A
SCHEMBL6570961 0.71 ALDH1A1 (0.43) NPSR1ALDH1A1MAPTMAPK1MEN1

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