SCHEMBL6572570

SCHEMBL6572570

Nc1ccc(N(CCO)CCO)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 4/20 0.41
TSHR P16473 2/20 0.41
ALPL P05186 1/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.39
CRHR1 P34998 2/20 0.37
SLC9A5 Q14940 1/20 0.36
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 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
SCHEMBL6574296 0.84 MAPT (0.52) KMT2ASMN1; SMN2LMNATP53ATM
SCHEMBL6571525 0.84 KMT2A (0.50) KMT2ASMN1; SMN2LMNATP53ATM
SCHEMBL6572395 0.82 CRHR1 (0.48) CYP3A4TSHRHTTCRHR1DPP4
SCHEMBL6572303 0.80 LMNA (0.45) KMT2ASMN1; SMN2LMNATP53ATM
SCHEMBL6572769 0.79 KMT2A (0.43) KMT2ASMN1; SMN2LMNATP53ATM
SCHEMBL6571939 0.79 STK4 (0.45) KMT2ASMN1; SMN2LMNATP53ATM
SCHEMBL6572913 0.79 KMT2A (0.38) KMT2ASMN1; SMN2LMNATP53ATM
SCHEMBL33587 0.78 MAPT (0.54) KMT2ASMN1; SMN2LMNATP53ATM
SCHEMBL6573254 0.78 KMT2A (0.45) KMT2ASMN1; SMN2LMNATP53ATM
SCHEMBL6572225 0.78 KMT2A (0.35) KMT2ASMN1; SMN2LMNATP53ATM

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