SCHEMBL19147397

SCHEMBL19147397

CN[S+]([O-])N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.68
KCNH2 Q12809 1/20 0.68
PDE5A O76074 10/20 0.51
GUCY1A1 Q02108 8/20 0.48
GUCY1B1 Q02153 8/20 0.48

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
SCHEMBL19019367 0.87 ADORA3 (0.73) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19934018 0.86 ADORA3 (0.75) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19146320 0.85 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Dimethyl Sulfoxide SCHEMBL1931525 0.83 ADORA3 (0.76) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19146087 0.83 ADORA3 (0.71) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL20148914 0.82 ADORA3 (0.67) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19019528 0.82 ADORA3 (0.75) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19019365 0.82 ADORA3 (0.70) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19145945 0.82 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19146470 0.82 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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-2017121692-A1 SUBSTITUTED SULFAMIDES AND USE OF SAME BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed