SCHEMBL3437091

SCHEMBL3437091

COC(=O)Nc1c(N)nc(-c2cc(C3C=CSC3)n(Cc3ccccc3F)n2)nc1N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 1/20 0.36
GUCY1A1 Q02108 16/20 0.36
GUCY1B1 Q02153 16/20 0.36
GUCY1B2 O75343 3/20 0.36
GUCY1A2 P33402 3/20 0.36
P2RY14 Q15391 1/20 0.34
OPRK1 P41145 1/20 0.33

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
SCHEMBL3437513 0.79 GUCY1B2 (0.47) L3MBTL1ADORA3KCNH2TSHRGUCY1A1
SCHEMBL3437473 0.77 GUCY1B2 (0.49) L3MBTL1ADORA3KCNH2TSHRGUCY1A1
SCHEMBL3437390 0.76 GUCY1A1 (0.43) L3MBTL1ADORA3KCNH2TSHRGUCY1A1
SCHEMBL3437479 0.76 GUCY1B2 (0.44) L3MBTL1ADORA3KCNH2TSHRGUCY1A1
SCHEMBL16081971 0.76 GUCY1B2 (0.65) GUCY1A1GUCY1B1GUCY1B2GUCY1A2OPRK1
SCHEMBL3437352 0.74 GUCY1B2 (0.53) L3MBTL1ADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL12298808 0.72 PDE5A (0.52) L3MBTL1ADORA3KCNH2TSHRGUCY1A1
SCHEMBL23186729 0.71 ADORA3 (0.54) L3MBTL1ADORA3KCNH2TSHRGUCY1A1
SCHEMBL23186730 0.71 KCNH2 (0.52) L3MBTL1ADORA3KCNH2TSHRGUCY1A1
SCHEMBL23186734 0.71 GUCY1A1 (0.56) ADORA3KCNH2GUCY1A1GUCY1B1

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-2012003405-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed