SCHEMBL6572475

SCHEMBL6572475

CNc1ccc(N)c(-c2ccc(OC)c(OC)c2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TUBB4A P04350 3/20 0.39
TUBB P07437 3/20 0.39
TUBA3C P0DPH7 3/20 0.39
TUBA1B P68363 3/20 0.39
TUBA4A P68366 3/20 0.39
TUBB4B P68371 3/20 0.39
TUBB3 Q13509 3/20 0.39
TUBB2A Q13885 3/20 0.39
TUBB8 Q3ZCM7 3/20 0.39
TUBA3E Q6PEY2 3/20 0.39
TUBA1A Q71U36 3/20 0.39
TUBA1C Q9BQE3 3/20 0.39
TUBB6 Q9BUF5 3/20 0.39
TUBB2B Q9BVA1 3/20 0.39
TUBB1 Q9H4B7 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL6574960 0.81 DHFR (0.38) HDAC4HDAC2HDAC8TUBB4ATUBB
SCHEMBL6570847 0.81 ALDH1A1 (0.39) HDAC4HDAC2HDAC8TUBB4ATUBB
SCHEMBL6571014 0.81 CYP19A1 (0.44) HDAC4HDAC2HDAC8TUBB4ATUBB
SCHEMBL6571911 0.79 ALDH1A1 (0.49) HDAC4HDAC2HDAC8ALDH1A1HSD17B10
SCHEMBL6571563 0.78 HTR7 (0.45) ALDH1A1HSD17B10KDM4EMAPTMAPK1
SCHEMBL6572139 0.77 ALDH1A1 (0.36) HDAC4HDAC2HDAC8TUBB4ATUBB
SCHEMBL6573517 0.75 NR3C1 (0.41) ALDH1A1HSD17B10MAPTMAPK1SMN1; SMN2
SCHEMBL1979959 0.75 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPTMAPK1HTT
SCHEMBL11264661 0.75 GAA (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL642228 0.74 HDAC4 (0.58) HDAC4HDAC2HDAC8ALDH1A1HSD17B10

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