SCHEMBL20142142

SCHEMBL20142142

Fc1ccccc1Cn1nc(C(=NN=C(S)S)Nc2ccccc2)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.40
PDE5A O76074 8/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
BUB1 O43683 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 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
SCHEMBL20142139 1.00 ADORA3 (0.41) ADORA3KCNH2ATMPDE5AMAPT
SCHEMBL20142339 0.83 ADORA3 (0.44) ADORA3KCNH2ATMPDE5AMAPT
SCHEMBL20142338 0.83 ADORA3 (0.44) ADORA3KCNH2ATMPDE5AMAPT
SCHEMBL174160 0.77 ATM (0.54) ADORA3KCNH2ATMPDE5AMAPT
SCHEMBL5476235 0.75 ADORA3 (0.52) ADORA3KCNH2ATMPDE5AMAPT
SCHEMBL2883924 0.74 ADORA3 (0.46) ADORA3KCNH2ATMPDE5AMAPT
SCHEMBL2883929 0.74 ADORA3 (0.46) ADORA3KCNH2ATMPDE5AMAPT
SCHEMBL8220418 0.74 ADORA3 (0.46) ADORA3KCNH2ATMPDE5AMAPT
SCHEMBL2883926 0.74 ADORA3 (0.46) ADORA3KCNH2ATMPDE5AMAPT
SCHEMBL20161116 0.74 ATM (0.48) ADORA3KCNH2ATMPDE5AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538520-A2 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2019-09-18 EP disclosed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed