SCHEMBL21022290

SCHEMBL21022290

C=C(C)C1C(c2ccc(C(F)(F)F)c(F)c2)C1(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
KIF11 P52732 10/20 0.38
CHRM2 P08172 1/20 0.36
DRD2 P14416 1/20 0.36
CHRNB2 P17787 1/20 0.36
DRD4 P21917 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
DRD3 P35462 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
KCNH2 Q12809 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL18145941 0.82 KDM1A (0.43) KDM1AKIF11CHRM2DRD2CHRNB2
SCHEMBL18145938 0.82 KDM1A (0.43) KDM1AKIF11CHRM2DRD2CHRNB2
SCHEMBL18145943 0.82 KDM1A (0.43) KDM1AKIF11CHRM2DRD2CHRNB2
SCHEMBL21021820 0.78 SLC6A2 (0.35) KCNH2
SCHEMBL20076441 0.78 SLC9A1 (0.48)
SCHEMBL21021747 0.77 MEN1 (0.31)
SCHEMBL21021134 0.76 SLC9A1 (0.41)
SCHEMBL20076772 0.76 KDM1A (0.40) KDM1ADRD2
SCHEMBL21021644 0.76 ADRA2A (0.39) KIF11CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL20076411 0.75 NOTUM (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed