SCHEMBL7940050

SCHEMBL7940050

Cc1cc(-c2ccc(C#N)cc2C)ccc1COc1c(F)cc(F)cc1C1CSC(N2CCC(C(=O)O)CC2)=N1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
GPR6 P46095 2/20 0.33
GLP1R P43220 9/20 0.33
PDE10A Q9Y233 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
KCNH2 Q12809 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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 0.85 CD274 (0.35) KDM5AKDM4CKDM5BGLP1RHRH2
SCHEMBL7940020 0.83 ALDH1A1 (0.38)
SCHEMBL14952909 0.81 GUCY1B2 (0.44)
SCHEMBL7939410 0.79 ALDH1A1 (0.38) HRH2HRH1
SCHEMBL7944082 0.75 NEK2 (0.36) KDM5AKDM4CKDM5BPDCD1CD274
SCHEMBL3229063 0.74 GUCY1B2 (0.45)
SCHEMBL3239175 0.74 GUCY1B2 (0.40) HRH2HRH1
SCHEMBL4005210 0.74 GLP1R (0.40) GLP1RPDE10A
SCHEMBL3234836 0.71 L3MBTL1 (0.44)
SCHEMBL3233312 0.70 GUCY1B2 (0.47)

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