SCHEMBL9686547

SCHEMBL9686547

Cc1nc(Cn2c(=O)sc3cc(F)c(-n4c(=O)n5n(c4=O)CCCC5)cc32)no1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
PARG Q86W56 3/20 0.34
RIPK3 Q9Y572 1/20 0.33
GRM2 Q14416 1/20 0.32
TMEM97 Q5BJF2 3/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
GRM5 P41594 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
SCHEMBL9685792 0.82 GRM7 (0.37) GRIN1GRIN2BRIPK3
SCHEMBL9686573 0.79 GRIN1 (0.42) GRIN1GRIN2BPARGRIPK3GRM2
SCHEMBL9687641 0.78 TMEM97 (0.34) TMEM97
SCHEMBL9686841 0.78 GRIN1 (0.43) GRIN1GRIN2BPARGRIPK3GRM2
SCHEMBL9837325 0.77 TMEM97 (0.36) TMEM97
SCHEMBL9688013 0.75 GRIN1 (0.41) GRIN1GRIN2BPARGRIPK3
SCHEMBL9839357 0.75 SHMT2 (0.39) TMEM97
SCHEMBL9685768 0.75 GRIN1 (0.45) GRIN1GRIN2BPARGRIPK3GRM5
SCHEMBL9686339 0.74 GRIN1 (0.40) GRIN1GRIN2BPARGRIPK3
SCHEMBL9687121 0.74 GRIN1 (0.34) GRIN1GRIN2BPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296416-B1 BENZO-ANELLATED CYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1992-07-29 EP disclosed
US-5077401-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-12-31 US disclosed
US-4902335-A Benzo-fused cyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-02-20 US disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed