SCHEMBL8318943

SCHEMBL8318943

CN(C)c1ccc(C(N)c2cccc(C3OCCO3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.32
KIF11 P52732 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GBA1 P04062 2/20 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
SCHEMBL8324891 0.82 OPRM1 (0.36) MAPK1
SCHEMBL8322242 0.81 CHRNB2 (0.37) MEN1KMT2A
SCHEMBL8318902 0.77 ALDH1A1 (0.47) HSD17B2LMNATP53GAAMAPT
SCHEMBL8317994 0.76 CYP3A4 (0.43) HSD17B2MEN1MAPTMAPK1HTT
SCHEMBL8317963 0.74 S1PR2 (0.44) MEN1LMNATP53GAAMAPT
SCHEMBL27796397 0.73 ALDH1A1 (0.38) KIF11MEN1LMNATP53MAPT
SCHEMBL9680972 0.72 ALDH1A1 (0.49) MEN1USP2TP53MAPTALOX15
SCHEMBL8388890 0.72 ALDH1A1 (0.48) MEN1TP53GAAMAPTALOX15
SCHEMBL10349155 0.72 ALDH1A1 (0.58) MEN1USP2TP53GAAMAPT
SCHEMBL8317419 0.70 HPGD (0.54) MEN1LMNATP53GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004071401-A2 HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 WO disclosed