SCHEMBL10770586

SCHEMBL10770586

CCOC(=O)c1c2n(c3cc(N4CCN(C)CC4)c(F)c(C)c3c1=O)CS2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 7/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.38
RAD52 P43351 1/20 0.38
DRD3 P35462 1/20 0.38
WDR5 P61964 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL10774787 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10770292 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAARAD52
SCHEMBL10775022 0.87 GAA (0.43) ALDH1A1KDM4EHPGDGAADRD3
SCHEMBL9523291 0.86 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10772806 0.85 MAPT (0.38) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10770596 0.84 KCNH2 (0.51) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL10773267 0.84 HSD17B10 (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10769580 0.81 KCNH2 (0.35) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10770999 0.77 LMNA (0.39) ALDH1A1KDM4EHPGDHSD17B10DRD3
SCHEMBL9523083 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10GAA

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
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP disclosed