SCHEMBL6574341

SCHEMBL6574341

COc1ccc(-c2cc(N)ccc2NCCO)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
LCK P06239 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.36
CYP19A1 P11511 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TNF P01375 2/20 0.35

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
SCHEMBL6570803 0.87 PTGER4 (0.41) HDAC4HDAC2HDAC8GAAMAPT
SCHEMBL6572048 0.84 AR (0.36) HDAC4HDAC2HDAC8LCKTNF
SCHEMBL7684990 0.83 GBA1 (0.45) GAAMAPK1HTT
SCHEMBL6572745 0.83 RAD52 (0.41) HDAC4HDAC2HDAC8MAPT
SCHEMBL3855076 0.83 RAD52 (0.47) HDAC8GAAMAPTKDM4ETSHR
SCHEMBL6573754 0.83 KDM4E (0.40) GAAMAPTKDM4ETSHRL3MBTL1
SCHEMBL6574773 0.82 MAPT (0.40) HDAC4HDAC2HDAC8GAAMAPT
Hydrochloric Acid SCHEMBL11143842 0.82 KDM4E (0.46) HDAC8GAAMAPTKDM4ETSHR
SCHEMBL6571037 0.80 TSHR (0.40) GAAMAPTKDM4ETSHRL3MBTL1
SCHEMBL9499966 0.80 GAA (0.47) GAAMAPTKDM4ETSHRMAPK1

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