SCHEMBL9689804

SCHEMBL9689804

CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
SLC22A12 Q96S37 1/20 0.45
GAA P10253 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
MCL1 Q07820 8/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NR3C1 P04150 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL14367968 0.79 KIF11 (0.51) KIF11SLC22A12GAAMCL1MAPT
SCHEMBL31021468 0.78 KIF11 (0.47) KIF11SLC22A12GAATRPV1MCL1
SCHEMBL31021464 0.78 KIF11 (0.47) KIF11SLC22A12GAATRPV1MCL1
SCHEMBL30994964 0.78 KIF11 (0.50) KIF11SLC22A12GAATRPV1MCL1
SCHEMBL2973571 0.78 KIF11 (0.50) KIF11SLC22A12GAATRPV1MCL1
SCHEMBL953826 0.77 TRPA1 (0.42) GAAPOLBMAPTCYP2D6CYP2C9
SCHEMBL955167 0.76 PTPN5 (0.43) POLBMAPTCYP2D6CYP2C9
SCHEMBL4556987 0.76 ALOX5AP (0.41) KIF11GAAPOLBMAPT
SCHEMBL30487705 0.76 ALOX5AP (0.41) KIF11GAAPOLBMAPT
SCHEMBL30505745 0.76 SLC22A12 (0.55) SLC22A12NR3C1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506709-A1 ARTHROPODICIDAL PYRAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-07 EP disclosed
WO-1991008207-A1 ARTHROPODICIDAL PYRAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-13 WO disclosed