SCHEMBL9517902

SCHEMBL9517902

Nc1ccc(N)c(OCCOCCOc2cc(N)ccc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
GAA P10253 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NCF1 P14598 10/20 0.41
CYBB P04839 1/20 0.41
NOX5 Q96PH1 1/20 0.41

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
SCHEMBL33906 1.00 MAPT (0.47) MAPTGAAKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL5157516 0.98 GAA (0.50) MAPTGAAKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL7609077 0.96 GAA (0.49) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL11221918 0.94 ALDH1A1 (0.52) MAPTGAAKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL11217883 0.91 MAPT (0.55) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL1231708 0.91 MAPT (0.49) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL29835049 0.91 ALDH1A1 (0.45) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL2791672 0.91 APP (0.51) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL5792387 0.91 APP (0.51) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL5793563 0.91 ALDH1A1 (0.45) MAPTGAAKDM4EALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569368-A1 2,5-DIAMINO PHENOXY OXAALKANES AND THEIR USE AS INITIAL OXIDATION DYES Henkel Kommanditgesellschaft auf Aktien (DE) 1993-11-18 EP disclosed
WO-1992013824-A1 2,5-DIAMINO PHENOXY OXAALKANES AND THEIR USE AS INITIAL OXIDATION DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-08-20 WO disclosed