SCHEMBL6571445

SCHEMBL6571445

Nc1ccc(N(CCO)CCO)cc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 3/20 0.40
HTT P42858 3/20 0.40
PKM P14618 1/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ATM Q13315 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
BACE1 P56817 1/20 0.35
S100B P04271 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
BRD4 O60885 1/20 0.34
NR1I2 O75469 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
SCHEMBL6570998 0.88 MAPT (0.38) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL6571892 0.87 MAPT (0.37) KMT2AMAPTMEN1ALDH1A1HSD17B10
SCHEMBL6570961 0.87 ALDH1A1 (0.43) KMT2AMAPTMEN1ALDH1A1HSD17B10
SCHEMBL6571005 0.86 TAAR1 (0.39) KMT2AMAPTMEN1GAAHTT
SCHEMBL6571458 0.86 CYP3A4 (0.38) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL18321334 0.85 CRHR1 (0.42) KMT2AMAPTMEN1ALDH1A1HSD17B10
SCHEMBL6572200 0.85 USP7 (0.40) KMT2AMAPTMEN1ALDH1A1HSD17B10
SCHEMBL6574636 0.85 KMT2A (0.42) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL6572291 0.85 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL6573422 0.85 HRH3 (0.42) KMT2AMAPTMEN1ALDH1A1HSD17B10

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