SCHEMBL6572092

SCHEMBL6572092

COc1cccc(-c2cc(N)c(CCO)c(CCO)c2N)c1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LTB4R Q15722 1/20 0.32
ELANE P08246 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FGB P02675 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 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
SCHEMBL6573003 0.76 NPSR1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL6572087 0.74 MEN1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL6570913 0.69 MAPT (0.35) CA12CA1CA2CA7CA9
SCHEMBL6571862 0.69 GAA (0.42) KDM4ELMNAMAPTMEN1ALDH1A1
SCHEMBL6449705 0.68 NPSR1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL6570707 0.67 HTR7 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL8197824 0.67 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL6574556 0.67 HTR7 (0.41) KDM4ELMNAALDH1A1RAB9A
SCHEMBL8200174 0.66 ENPP2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL29954337 0.66 ENPP2 (0.47) CA12CA1CA2CA7CA9

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