SCHEMBL7944082

SCHEMBL7944082

Cc1ccc(OCc2ccc(-c3ccc(C#N)cn3)cc2C)c(C2CSC(N3CCC(C(=O)O)CC3)=N2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.36
DGAT1 O75907 1/20 0.34
CD274 Q9NZQ7 4/20 0.33
PDE5A O76074 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SCD5 Q86SK9 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
PDCD1 Q15116 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7940603 0.90 CD274 (0.35) CD274PDE5APDCD1KDM5AKDM4C
SCHEMBL7939410 0.83 ALDH1A1 (0.38) POLBMAPTHTTALDH1A1KMT2A
SCHEMBL7940148 0.81 CD274 (0.35) NEK2CD274PTGDR2
SCHEMBL3233780 0.81 GUCY1B2 (0.46)
SCHEMBL3994180 0.80 GUCY1B2 (0.45)
SCHEMBL7940050 0.75 KDM5A (0.35) CD274PDCD1KDM5AKDM4CKDM5B
SCHEMBL7941017 0.75 MAPK1 (0.47) POLBMAPTALDH1A1KMT2A
SCHEMBL3228968 0.74 GUCY1B2 (0.39) PTGDR2
SCHEMBL3236702 0.74 GUCY1B2 (0.43) DGAT1
SCHEMBL3997847 0.73 CETP (0.42) DGAT1PTGDR2

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-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed