SCHEMBL6571939

SCHEMBL6571939

Nc1ccc(N(CCO)CCO)cc1-c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 3/20 0.45
STK3 Q13188 3/20 0.45
MAPT P10636 3/20 0.43
LRRK2 Q5S007 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PGR P06401 1/20 0.40
TDO2 P48775 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
BACE1 P56817 1/20 0.38
DHFR P00374 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL6572769 0.87 KMT2A (0.43) STK4STK3MAPTKMT2AMEN1
SCHEMBL6570998 0.86 MAPT (0.38) STK4STK3MAPTKMT2AMEN1
SCHEMBL6571525 0.85 KMT2A (0.50) MAPTKMT2AMEN1LMNATP53
SCHEMBL6571445 0.85 KMT2A (0.43) MAPTKMT2AMEN1LMNATP53
SCHEMBL6571458 0.84 CYP3A4 (0.38) STK3MAPTLRRK2KMT2AMEN1
SCHEMBL6571005 0.84 TAAR1 (0.39) STK3MAPTKMT2AMEN1LMNA
SCHEMBL6571701 0.83 MAPT (0.38) MAPTLRRK2KMT2AMEN1LMNA
SCHEMBL6573422 0.83 HRH3 (0.42) STK4STK3MAPTKMT2AMEN1
SCHEMBL6572500 0.83 MAPT (0.40) STK4STK3MAPTKMT2AMEN1
SCHEMBL6573254 0.82 KMT2A (0.45) MAPTKMT2AMEN1LMNATP53

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