SCHEMBL6571026

SCHEMBL6571026

Nc1ccc(N(CCO)CCO)c(-c2ccccc2C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PABPC1 P11940 1/20 0.40
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 3/20 0.34
PTPRC P08575 2/20 0.34
LMNA P02545 2/20 0.34
NSD2 O96028 2/20 0.34
HTT P42858 2/20 0.34
GALK1 P51570 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
APAF1 O14727 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
SCHEMBL6574203 0.83 CRHR1 (0.34) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL6571072 0.83 SRC (0.36) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL7461348 0.83 MEN1 (0.31) MEN1KMT2APABPC1
SCHEMBL7460384 0.82 MEN1 (0.30) MEN1KMT2APABPC1
SCHEMBL6570775 0.80 ERN1 (0.42) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL6570844 0.80 TRIM24 (0.42) NPC1ALDH1A1RAB9ATRIM24TRIM33
SCHEMBL6572419 0.80 MEN1 (0.40) MEN1KMT2APABPC1NPC1ALDH1A1
SCHEMBL6570701 0.79 PLA2G7 (0.43) MEN1KMT2APABPC1NPC1ALDH1A1
SCHEMBL6574139 0.79 PLA2G7 (0.50) MEN1KMT2APABPC1NPC1ALDH1A1
SCHEMBL6573270 0.79 MEN1 (0.39) MEN1KMT2APABPC1NPC1ALDH1A1

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