SCHEMBL6572290

SCHEMBL6572290

Nc1ccc(N(CCO)CCO)c(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL6571903 0.89 KMT2A (0.38) TP53KMT2AMEN1PABPC1ALDH1A1
SCHEMBL6572172 0.87 STK4 (0.45) KMT2AMEN1PABPC1STK4STK3
SCHEMBL6571885 0.86 ALDH1A1 (0.34) KMT2AMEN1PABPC1ALDH1A1PTGDR2
SCHEMBL6570840 0.85 ALDH1A1 (0.36) TP53CYP3A4KMT2AMEN1PABPC1
SCHEMBL6572545 0.83 ABL1 (0.36) KMT2AMEN1PABPC1ALDH1A1PTGDR2
SCHEMBL6573366 0.82 CYP3A4 (0.42) TP53CYP3A4KMT2ALMNAATM
SCHEMBL6573155 0.82 PTGS2 (0.40) TP53KMT2ALMNAATMSMN1; SMN2
Hydrochloric Acid SCHEMBL6572997 0.81 PTGDR2 (0.43) TP53CYP3A4KMT2AMEN1PABPC1
SCHEMBL6571486 0.81 USP7 (0.40) TP53CYP3A4KMT2AMEN1PABPC1
SCHEMBL6573371 0.81 CRHR1 (0.41) TP53CYP3A4KMT2AMEN1

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