SCHEMBL9687049

SCHEMBL9687049

O=C1C2=C(CCCC2)C(=O)N1c1cc2c(cc1F)oc(=O)n2Cc1ccon1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
GRM7 Q14831 3/20 0.36
GRM4 Q14833 3/20 0.36
GRM1 Q13255 1/20 0.36
IDO1 P14902 1/20 0.35
KMT2A Q03164 1/20 0.34
TNIK Q9UKE5 1/20 0.34
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL9687690 0.81 GRM7 (0.36) GRM7GRM4GRM1
SCHEMBL9687012 0.78 GRIN1 (0.37) GRM7GRM4GRM1KMT2A
SCHEMBL9686487 0.74 CYP1B1 (0.36) GRM7GRM4GRM1
SCHEMBL10515324 0.71 PPOX (0.45)
SCHEMBL9685668 0.65 MAPT (0.38) GRM7GRM4GRM1
SCHEMBL9687032 0.65 BRD4 (0.36)
SCHEMBL10474023 0.63 SMN1; SMN2 (0.37) KMT2A
SCHEMBL10483549 0.63 KMT2A (0.36) PTGS2KMT2ACD74MIF
SCHEMBL9848591 0.63 GRM7 (0.42) GRM7GRM4GRM1
SCHEMBL9848561 0.63 GRM7 (0.40) GRM7GRM4GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1102076-A None JP disclosed
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
JP-H01102076-A BENZO-CONDENSED RING COMPOUND AND HERBICIDE NIPPON TOKUSHU NOYAKU SEIZO KK 1989-04-19 JP disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed