SCHEMBL9599063

SCHEMBL9599063

C#CCN1C(=O)COc2cc(F)c(-n3cc(Cl)c(C(F)(F)F)cc3=O)cc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.32
EGFR P00533 2/20 0.32
KMO O15229 1/20 0.31
PIK3C2A O00443 2/20 0.30
PIK3C2B O00750 2/20 0.30
PIK3CA P42336 2/20 0.30
PRKDC P78527 2/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL9598201 0.88 BRD4 (0.35) CHRM1TSHR
SCHEMBL9597908 0.81 TP53 (0.36) CHRM1EGFRSLC5A1SLC5A2PIK3CG
SCHEMBL8960539 0.78 EGFR (0.31) EGFRSLC5A1SLC5A2
SCHEMBL4682695 0.78 CHRM1 (0.34) CHRM1TSHR
SCHEMBL26001237 0.76 SLC5A1 (0.34) TSHRKMOSLC5A1SLC5A2PIK3CG
SCHEMBL39263 0.76 CHRM1 (0.35) CHRM1
SCHEMBL9843931 0.75 CHRM1 (0.35) CHRM1TSHR
SCHEMBL4677641 0.75 CHRM1 (0.32) CHRM1TSHR
SCHEMBL10653573 0.75 CHRM1 (0.36) CHRM1EGFRKMO
SCHEMBL4681334 0.74 CHRM1 (0.33) CHRM1EGFRSLC5A1SLC5A2PIK3CG

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
US-5238906-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-24 US claimed
EP-0488220-A2 Pyridone derivatives, and their production and use SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-06-03 EP claimed
US-5238906-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-24 US disclosed
EP-0488220-A2 Pyridone derivatives, and their production and use SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-06-03 EP disclosed