SCHEMBL6572933

SCHEMBL6572933

Nc1ccc(N(CCO)CCO)cc1-c1ccccc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MCL1 Q07820 1/20 0.34
PABPC1 P11940 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
THRB P10828 2/20 0.32
BLM P54132 2/20 0.32
KCNN4 O15554 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ATM Q13315 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31

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
SCHEMBL6570961 0.84 ALDH1A1 (0.43) KMT2AMEN1MAPTHTTGAA
SCHEMBL6571801 0.83 ALDH1A1 (0.37) KMT2AMEN1HTTGAAALDH1A1
SCHEMBL6571901 0.83 SRC (0.36) KMT2AMEN1MAPTHTTGAA
SCHEMBL7454738 0.83 ALDH1A1 (0.32) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL7461712 0.82 ALDH1A1 (0.32) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL6570789 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1TRIM24TRIM33
SCHEMBL6574718 0.80 ERN1 (0.42) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6570665 0.80 KMT2A (0.40) KMT2AMEN1MAPTHTTGAA
SCHEMBL6572909 0.80 MAPT (0.40) KMT2AMEN1MAPTHTTGAA
SCHEMBL6572082 0.79 MAPT (0.45) KMT2AMEN1MAPTHTTGAA

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