SCHEMBL6572964

SCHEMBL6572964

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 3/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
FGB P02675 1/20 0.35
THRB P10828 1/20 0.35
ADORA2A P29274 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
RELA Q04206 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 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
SCHEMBL6572267 0.86 HTR7 (0.41) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6573326 0.86 ALDH1A1 (0.35) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3315110 0.81 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6574219 0.80 KMT2A (0.38) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6574721 0.79 TDO2 (0.42) MAPTALDH1A1ADORA2ALMNA
SCHEMBL6570985 0.79 HDAC4 (0.37)
SCHEMBL6572855 0.79 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL6573003 0.78 NPSR1 (0.37) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6268919 0.78 GAA (0.47) MAPTALDH1A1MEN1KMT2ATHRB
SCHEMBL6571857 0.78 GAA (0.40) MAPTALDH1A1MEN1KMT2AMAPK1

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