SCHEMBL6572443

SCHEMBL6572443

COCCN(CCOC)c1ccc(N)c(-c2ccc(OC)c(OC)c2OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34
TUBB2B Q9BVA1 2/20 0.34
TUBB1 Q9H4B7 2/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL6570985 0.87 HDAC4 (0.37) AOC3HDAC4HDAC2HDAC8TUBB4A
SCHEMBL6570806 0.82 ALDH1A1 (0.42) AOC3HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL6571532 0.82 HTR7 (0.44) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL6574104 0.81 LMNA (0.45) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL6572544 0.81 MGAM (0.40) ALDH1A1LMNAMAPTHTT
SCHEMBL6573326 0.79 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1SMN1; SMN2HSD17B10
SCHEMBL6570734 0.79 S100B (0.34) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL6571343 0.78 FDPS (0.43) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL6572453 0.77 HDAC4 (0.37) AOC3HDAC4HDAC2HDAC8KDM4E
SCHEMBL6574960 0.77 DHFR (0.38) HDAC4HDAC2HDAC8TUBB4ATUBB

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