SCHEMBL12425338

SCHEMBL12425338

CC(F)(F)c1ccc(CS(C)(=O)=CC#N)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
NFKB1 P19838 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL9610902 0.79 CDK2 (0.37) LMNASMN1; SMN2NPSR1KDM4EHDAC6
SCHEMBL21300042 0.75 KCNH2 (0.33) LMNASMN1; SMN2NPSR1KDM4EHDAC6
SCHEMBL29268132 0.72 SLC22A12 (0.36) MAPTMEN1KMT2A
SCHEMBL119494 0.69 CDK2 (0.39) KCNH2
SCHEMBL12266677 0.68 KDM4E (0.41) NPC1RAB9ACYP1A2CYP2D6SMN1; SMN2
SCHEMBL22663449 0.67 KDM1A (0.40) MAPTCYP3A4CYP2C9CYP2C19DRD1
SCHEMBL12797513 0.67 DAO (0.42) KCNH2
SCHEMBL13373481 0.67 DAO (0.45) HTR2AKCNH2
SCHEMBL932830 0.67 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1KDM4EHTR2A
SCHEMBL30798672 0.67 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1KDM4EHTR2A

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-2351740-A1 Insecticidal composition comprising N-substituted (6-haloalkylpyridin-3-YL)alkyl sulfoximines Dow AgroSciences LLC (US) 2011-08-03 EP disclosed
WO-2009014891-A2 INCREASING PLANT VIGOR DOW AGROSCIENCES LLC (US) 2009-01-29 WO disclosed