SCHEMBL6570913

SCHEMBL6570913

COCCN(CCOC)c1ccc(N)cc1-c1cccc(OC)c1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
BCL2L1 Q07817 2/20 0.34
LTB4R Q15722 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LCK P06239 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 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
SCHEMBL6572087 0.91 MEN1 (0.37) MAPTGAABCL2L1LTB4RALDH1A1
SCHEMBL6573305 0.84 MEN1 (0.37) KDM4ENPC1BCL2L1ALDH1A1MAPK1
SCHEMBL6573046 0.80 HTR7 (0.44) MAPTGAAALDH1A1MAPK1
SCHEMBL6572020 0.78 CRHR1 (0.39) MAPTGAAKDM4EMAPK1
SCHEMBL6575280 0.74 MAPK1 (0.49) GAAALDH1A1MAPK1
SCHEMBL6573015 0.73 CRHR1 (0.36) MAPTGAAKDM4ENPC1ALDH1A1
SCHEMBL7688679 0.72 KEAP1 (0.40) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL6573003 0.72 NPSR1 (0.37) MAPTKDM4ELTB4RALDH1A1MAPK1
SCHEMBL6574372 0.72 MEN1 (0.43) MAPTNPC1ALDH1A1MAPK1NPSR1
SCHEMBL6571969 0.71 CRHR1 (0.42) MAPTGAAKDM4ENPC1ALDH1A1

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 4 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
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