SCHEMBL2499892

SCHEMBL2499892

CC(NC(=O)O)c1c(N)nc(-n2nc(Cc3cc(F)cc(F)c3F)c3cc(Cl)ccc32)nc1N

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 18/20 0.53
GUCY1B1 Q02153 18/20 0.53
KCNH2 Q12809 11/20 0.53
CYP2C9 P11712 1/20 0.38
PDE5A O76074 1/20 0.38

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
SCHEMBL2515924 0.93 GUCY1A1 (0.55) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2441717 0.89 GUCY1A1 (0.66) GUCY1A1GUCY1B1KCNH2
SCHEMBL14482189 0.86 GUCY1A1 (0.63) GUCY1A1GUCY1B1KCNH2CYP2C9PDE5A
SCHEMBL14481690 0.84 GUCY1A1 (0.55) GUCY1A1GUCY1B1KCNH2CYP2C9PDE5A
SCHEMBL14481692 0.83 GUCY1A1 (0.66) GUCY1A1GUCY1B1KCNH2CYP2C9PDE5A
SCHEMBL14549789 0.82 GUCY1A1 (0.77) GUCY1A1GUCY1B1KCNH2CYP2C9PDE5A
SCHEMBL14481969 0.82 GUCY1A1 (0.62) GUCY1A1GUCY1B1KCNH2CYP2C9PDE5A
SCHEMBL14549816 0.82 GUCY1A1 (0.67) GUCY1A1GUCY1B1KCNH2CYP2C9
SCHEMBL14549824 0.81 GUCY1A1 (0.62) GUCY1A1GUCY1B1KCNH2CYP2C9PDE5A
SCHEMBL2449089 0.81 GUCY1A1 (0.58) GUCY1A1GUCY1B1KCNH2CYP2C9

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-2011119518-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-09-29 WO disclosed