SCHEMBL5019550

SCHEMBL5019550

Cc1ccnc(-c2nc(-c3cscn3)n(Cc3ccccc3F)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 5/20 0.40
GUCY1A2 P33402 5/20 0.40
GUCY1A1 Q02108 5/20 0.40
GUCY1B1 Q02153 5/20 0.40
OPRK1 P41145 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM5B Q9UGL1 2/20 0.36
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
P2RY14 Q15391 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
SCHEMBL4561518 0.91 MAPT (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL4560653 0.90 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019633 0.88 NPC1 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL4562184 0.87 GUCY1B2 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019629 0.86 ADORA2A (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019576 0.86 MAPT (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019548 0.85 NPC1 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019586 0.84 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019554 0.83 NPC1 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019700 0.81 ADORA2A (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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-2012064559-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed