SCHEMBL6572269

SCHEMBL6572269

COc1cccc(OC)c1-c1cc(N)ccc1N(CCO)CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PABPC1 P11940 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CHRNA7 P36544 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL6571978 0.86 HTR7 (0.41) GAAMAPTMEN1KMT2APABPC1
SCHEMBL6572020 0.86 CRHR1 (0.39) NR3C1GAAMAPTTSHRMAPK1
SCHEMBL14831731 0.81 MAPT (0.47) GAAMAPTTSHRMAPK1HTT
Hydrochloric Acid SCHEMBL14833948 0.80 GAA (0.46) GAAMAPTMEN1KMT2ATSHR
SCHEMBL6573059 0.79 HDAC4 (0.40) GAAMAPTTSHRMAPK1HTT
SCHEMBL6572405 0.79 HDAC4 (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6572448 0.79 ALDH1A1 (0.44) MAPTALDH1A1CYP3A4LCK
SCHEMBL6570914 0.79 MEN1 (0.39) MEN1KMT2APABPC1HTT
SCHEMBL6572087 0.78 MEN1 (0.37) GAAMAPTMEN1KMT2APABPC1
SCHEMBL7891011 0.78 CYP19A1 (0.44) GAAMAPTTSHRMAPK1HTT

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