SCHEMBL9685768

SCHEMBL9685768

Cc1nc(Cn2c(=O)sc3cc(F)ccc32)no1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.45
GRIN2B Q13224 4/20 0.45
RIPK3 Q9Y572 1/20 0.41
PARG Q86W56 3/20 0.39
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SHMT2 P34897 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9686573 0.81 GRIN1 (0.42) GRIN1GRIN2BRIPK3PARGGRM5
SCHEMBL9686841 0.80 GRIN1 (0.43) GRIN1GRIN2BRIPK3PARGGRM5
SCHEMBL9688013 0.77 GRIN1 (0.41) GRIN1GRIN2BRIPK3PARG
SCHEMBL9685792 0.74 GRM7 (0.37) GRIN1GRIN2BRIPK3
SCHEMBL27309285 0.70 NPSR1 (0.53) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL2361576 0.66 CDYL2 (0.45) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL7774503 0.66 BRD4 (0.39)
SCHEMBL2656695 0.63 P2RX7 (0.40) GRIN1GRIN2BALDH1A1NPSR1LMNA
SCHEMBL20134274 0.63 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL10365163 0.62 CNR2 (0.49) ALDH1A1NPSR1PKMTSHRSHMT2

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