SCHEMBL9685828

SCHEMBL9685828

NNc1cc2c(cc1F)sc(=O)n2Cc1ccon1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
PKM P14618 2/20 0.32
TRPA1 O75762 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9874248 0.85 TP53 (0.34) TP53PKMTRPA1GRIN1GRIN2B
SCHEMBL9686841 0.77 GRIN1 (0.43) PKMMAPTSMN1; SMN2GRIN1GRIN2B
SCHEMBL9687641 0.76 TMEM97 (0.34) TP53PKMLMNAKDM4EL3MBTL1
SCHEMBL9687690 0.75 GRM7 (0.36)
SCHEMBL27300218 0.72 POLB (0.34) PKMMAPTSMN1; SMN2KDM4E
SCHEMBL9687715 0.70
SCHEMBL9537457 0.67 CNR2 (0.38)
SCHEMBL4682441 0.65 TP53 (0.32) TP53MAPTSMN1; SMN2
SCHEMBL9875039 0.64 SMN1; SMN2 (0.43) PKMSMN1; SMN2GRIN1GRIN2BLMNA
SCHEMBL9686573 0.63 GRIN1 (0.42) MAPTSMN1; SMN2GRIN1GRIN2B

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