SCHEMBL6572855

SCHEMBL6572855

COc1ccc(OC)c(-c2cc(N(CCO)CCO)ccc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
RELA Q04206 2/20 0.38
ORAI1 Q96D31 1/20 0.38
AOC3 Q16853 1/20 0.38
DHFR P00374 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA2 P47869 1/20 0.37
ADRA1A P35348 2/20 0.37
ADRA2A P08913 1/20 0.37
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL6570806 0.87 ALDH1A1 (0.42) ALDH1A1MAPTCYP3A4MEN1THRB
SCHEMBL6571857 0.86 GAA (0.40) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL6572303 0.86 LMNA (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6572267 0.84 HTR7 (0.41) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL6570967 0.84 RELA (0.38) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL6572034 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGD
SCHEMBL6570789 0.83 ALDH1A1 (0.43) ALDH1A1RELA
SCHEMBL6570985 0.82 HDAC4 (0.37) HDAC4HDAC2HDAC8AOC3
SCHEMBL3315110 0.82 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4MEN1THRB
SCHEMBL6574718 0.81 ERN1 (0.42) ALDH1A1MAPTCYP3A4MEN1KMT2A

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