SCHEMBL6572103

SCHEMBL6572103

Nc1ccc(N(CCO)CCO)c(-c2ccccc2CBr)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PABPC1 P11940 1/20 0.38
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPRC P08575 2/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G1B P04054 1/20 0.32

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
SCHEMBL6571205 0.83 CRHR1 (0.35) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL6572419 0.81 MEN1 (0.40) MEN1KMT2APABPC1NPC1ALDH1A1
SCHEMBL6574139 0.80 PLA2G7 (0.50) MEN1KMT2APABPC1NPC1ALDH1A1
SCHEMBL6570701 0.80 PLA2G7 (0.43) MEN1KMT2APABPC1NPC1ALDH1A1
SCHEMBL6573270 0.80 MEN1 (0.39) MEN1KMT2APABPC1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL6572997 0.78 PTGDR2 (0.43) MEN1KMT2APABPC1NPC1ALDH1A1
SCHEMBL6572062 0.77 ALDH1A1 (0.31) MEN1KMT2APABPC1ALDH1A1
SCHEMBL6571026 0.77 MEN1 (0.40) MEN1KMT2APABPC1NPC1ALDH1A1
SCHEMBL6575117 0.77 HTT (0.42) MEN1KMT2APABPC1ALDH1A1CYP3A4
SCHEMBL6571319 0.77 GLA (0.42) MEN1KMT2APABPC1TSHRPOLB

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 7 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
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 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
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO 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