SCHEMBL6574401

SCHEMBL6574401

Nc1cc(-c2ccc(O)cc2)c(N)c(CCO)c1CCO

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 8/20 0.42
CA2 P00918 1/20 0.39
ESR2 Q92731 5/20 0.37
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
ESR1 P03372 5/20 0.34

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
SCHEMBL6573036 0.85 MAPT (0.31)
SCHEMBL6572300 0.81
SCHEMBL8071425 0.74
SCHEMBL7451350 0.73 KDM4E (0.32)
SCHEMBL6570707 0.72 HTR7 (0.36) CA2
SCHEMBL2988187 0.71 CA2 (0.52) CA2ESR2ESR1
SCHEMBL6574425 0.71 TSHR (0.39)
SCHEMBL8104171 0.71 MEN1 (0.40) ESR1
SCHEMBL7686229 0.70 SLC6A2 (0.30)
SCHEMBL8100179 0.70 ALDH1A1 (0.36)

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