SCHEMBL6574296

SCHEMBL6574296

Nc1ccc(N(CCO)CCO)cc1-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 3/20 0.48
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
MCL1 Q07820 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TACR1 P25103 5/20 0.38
TACR3 P29371 5/20 0.38
DPP4 P27487 1/20 0.37
PLA2G7 Q13093 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
BACE1 P56817 1/20 0.35
RECQL P46063 1/20 0.35
CYP2A6 P11509 1/20 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
SCHEMBL6570961 0.88 ALDH1A1 (0.43) MAPTKMT2AMEN1GAAHTT
SCHEMBL6572570 0.84 KMT2A (0.47) MAPTKMT2AMEN1GAAHTT
SCHEMBL6572909 0.84 MAPT (0.40) MAPTKMT2AMEN1GAAHTT
SCHEMBL6570665 0.84 KMT2A (0.40) MAPTKMT2AMEN1GAAHTT
SCHEMBL6572082 0.82 MAPT (0.45) MAPTKMT2AMEN1GAAHTT
SCHEMBL6570863 0.82 CRHR1 (0.39) MAPTKMT2AMEN1GAAHTT
SCHEMBL6571445 0.81 KMT2A (0.43) MAPTKMT2AMEN1GAAHTT
SCHEMBL6573432 0.80 KMT2A (0.38) MAPTKMT2AMEN1GAAHTT
SCHEMBL6572612 0.80 BACE1 (0.40) MAPTKMT2AMEN1GAAHTT
SCHEMBL6572913 0.80 KMT2A (0.38) MAPTKMT2AMEN1GAAHTT

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