SCHEMBL9808673

SCHEMBL9808673

CNc1ccccc1C[S+]([O-])c1nccn1-c1cc(C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
KDR P35968 2/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9666016 0.86 PTK2 (0.39)
SCHEMBL9808696 0.83
SCHEMBL9874240 0.81 MAPK1 (0.32) NPSR1MAPK1GRIN2DGRIN3BGRIN1
SCHEMBL9803159 0.73 PTK2 (0.39) MEN1KMT2A
SCHEMBL9803014 0.69 GRM5 (0.40) KDRSMN1; SMN2
SCHEMBL9012258 0.69 KDM4E (0.38) NPSR1MAPK1SMN1; SMN2
SCHEMBL9666990 0.69 KDM4E (0.35) KDRFLT1
SCHEMBL9011984 0.68
SCHEMBL9802864 0.68 KDM4E (0.33) NPSR1
SCHEMBL9665360 0.67 KDM4E (0.34)

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
US-5053417-A Antiulcer agents TANABE SEIYAKU CO., LTD. (JP) 1991-10-01 US disclosed
US-4996217-A Antiulcer agents TANABE SEIYAKU COMPANY, LTD. (JP) 1991-02-26 US disclosed