SCHEMBL6571903

SCHEMBL6571903

Nc1ccc(N(CCO)CCO)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CRHR1 P34998 2/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
APP P05067 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
SNCA P37840 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL6570840 0.90 ALDH1A1 (0.36) KMT2ATP53SMN1; SMN2ALDH1A1MEN1
SCHEMBL6572290 0.89 TP53 (0.35) KMT2ATP53SMN1; SMN2LMNAATM
SCHEMBL6573366 0.87 CYP3A4 (0.42) KMT2ATP53SMN1; SMN2LMNAATM
SCHEMBL6573155 0.86 PTGS2 (0.40) KMT2ATP53SMN1; SMN2LMNAATM
SCHEMBL6571486 0.86 USP7 (0.40) KMT2ATP53SMN1; SMN2ALDH1A1MEN1
SCHEMBL6572172 0.85 STK4 (0.45) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL6574742 0.84 GCGR (0.37) KMT2ASMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL6572396 0.84 ALDH1A1 (0.36) KMT2AALDH1A1MEN1KDM4ENPC1
SCHEMBL6570740 0.84 ALDH1A1 (0.38) KMT2ATP53SMN1; SMN2LMNACRHR1
SCHEMBL6572686 0.84 ALDH1A1 (0.33) KMT2AALDH1A1MEN1PABPC1

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