SCHEMBL6573432

SCHEMBL6573432

Nc1ccc(N(CCO)CCO)cc1-c1ccccc1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35
S100B P04271 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PABPC1 P11940 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30

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 0.85 ALDH1A1 (0.43) KMT2AMAPTMEN1GAAPKM
SCHEMBL6572540 0.83 S100B (0.34) KMT2AMEN1S100B
SCHEMBL6572909 0.81 MAPT (0.40) KMT2AMAPTMEN1GAAPKM
SCHEMBL6570665 0.81 KMT2A (0.40) KMT2AMAPTMEN1GAAPKM
SCHEMBL6574296 0.80 MAPT (0.52) KMT2AMAPTMEN1GAAPKM
SCHEMBL6572082 0.80 MAPT (0.45) KMT2AMAPTMEN1GAAPKM
SCHEMBL6571445 0.79 KMT2A (0.43) KMT2AMAPTMEN1GAAPKM
SCHEMBL6572612 0.78 BACE1 (0.40) KMT2AMAPTMEN1GAAPKM
SCHEMBL6572913 0.77 KMT2A (0.38) KMT2AMAPTMEN1GAAPKM
SCHEMBL6574787 0.77 S100B (0.35) KMT2AMAPTMEN1GAAPKM

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