SCHEMBL6572267

SCHEMBL6572267

COc1ccccc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.41
HTR1A P08908 5/20 0.38
HTR2B P41595 5/20 0.38
HTR1D P28221 4/20 0.38
HTR1B P28222 4/20 0.38
HTR2A P28223 4/20 0.38
HTR5A P47898 4/20 0.38
HTR1E P28566 3/20 0.38
HTR6 P50406 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL6571532 0.86 HTR7 (0.44) HTR7HTR1AHTR2BHTR1DHTR1B
SCHEMBL6572964 0.86 MAPT (0.35) HTR7HTR1AALDH1A1ADRA2BPTGS1
SCHEMBL6572855 0.84 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL6570961 0.84 ALDH1A1 (0.43) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL6572303 0.83 LMNA (0.45) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6571857 0.83 GAA (0.40) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL6572082 0.82 MAPT (0.45) HTR7ALDH1A1TDP1MAPTMEN1
SCHEMBL6570985 0.82 HDAC4 (0.37)
SCHEMBL3315110 0.81 ALDH1A1 (0.49) ALDH1A1ADRA2BPTGS1TDP1MAPT
SCHEMBL6573003 0.81 NPSR1 (0.37) ALDH1A1MAPTMEN1KMT2AFGB

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