SCHEMBL9740441

SCHEMBL9740441

CSc1ccc(CN=C(N)c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.47
GRIN1 Q05586 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.38
SLC6A4 P31645 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 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
SCHEMBL9740437 1.00 GRIN2B (0.47) GRIN2BGRIN1SMN1; SMN2LMNASLC6A4
SCHEMBL9211361 0.75 NAMPT (0.42) SMN1; SMN2
SCHEMBL9211552 0.75 NAMPT (0.42) SMN1; SMN2
SCHEMBL9595523 0.73 GRIN2B (0.57) GRIN2BGRIN1SMN1; SMN2LMNA
SCHEMBL9595519 0.73 GRIN2B (0.57) GRIN2BGRIN1SMN1; SMN2LMNA
SCHEMBL8361629 0.69 LOXL2 (0.46) SMN1; SMN2LMNASLC6A4
SCHEMBL20040085 0.67 LMNA (0.54) SMN1; SMN2LMNA
SCHEMBL9740443 0.67 MEN1 (0.46) SMN1; SMN2LMNA
SCHEMBL456941 0.65 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL17196594 0.65 GRIN2B (1.00) GRIN2BGRIN1

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
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed