SCHEMBL7940603

SCHEMBL7940603

Cc1ccc(OCc2ccc(-c3ccc(C#N)cc3C)cc2C)c(C2CSC(N3CCC(C(=O)O)CC3)=N2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.35
PDCD1 Q15116 6/20 0.35
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
NOTUM Q6P988 1/20 0.32
GLP1R P43220 1/20 0.32
S1PR1 P21453 2/20 0.32
KMT2A Q03164 1/20 0.32
KDM1A O60341 1/20 0.31
SYK P43405 1/20 0.31
AURKB Q96GD4 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
SCHEMBL7939410 0.93 ALDH1A1 (0.38) HRH2HRH1S1PR1KMT2A
SCHEMBL7944082 0.90 NEK2 (0.36) CD274PDCD1KDM5AKDM4CKDM5B
SCHEMBL7940050 0.85 KDM5A (0.35) CD274PDCD1KDM5AKDM4CKDM5B
SCHEMBL7940148 0.81 CD274 (0.35) CD274NOTUM
SCHEMBL3233312 0.80 GUCY1B2 (0.47)
SCHEMBL4005292 0.79 GUCY1B2 (0.47)
SCHEMBL3618925 0.79 GUCY1B2 (0.44) CD274PDCD1KDM5AKDM4CKDM5B
SCHEMBL7944340 0.77 MAPT (0.36) MRGPRX4KMT2A
SCHEMBL7941017 0.76 MAPK1 (0.47) KMT2A
SCHEMBL3224902 0.74 GUCY1B2 (0.41)

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