SCHEMBL20076567

SCHEMBL20076567

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.36
IDO1 P14902 3/20 0.34
TDO2 P48775 3/20 0.34
SLC6A2 P23975 2/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
PGR P06401 2/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
MDM2 Q00987 2/20 0.33
TP53 P04637 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL21022053 0.88 SLC9A1 (0.33) SLC9A1SLC6A2SLC6A4SLC6A3
SCHEMBL20076379 0.87 SLC9A1 (0.42) SLC9A1IDO1TDO2SLC6A2CYP2D6
SCHEMBL21021820 0.87 SLC6A2 (0.35) SLC9A1IDO1TDO2SLC6A2CYP2D6
SCHEMBL20076701 0.87 SLC9A1 (0.42) SLC9A1SLC6A2PRKAG1PRKAA1PRKAB1
SCHEMBL21020915 0.86 SLC6A2 (0.38) SLC9A1SLC6A2CYP2D6SLC6A4SLC6A3
SCHEMBL20076404 0.85 SLC9A1 (0.50) SLC9A1SLC6A2SLC6A4SLC6A3
SCHEMBL20076643 0.85 SLC6A2 (0.34) SLC9A1IDO1TDO2SLC6A2CYP2D6
SCHEMBL20076685 0.85 SLC9A1 (0.50) SLC9A1SLC6A2SLC6A4SLC6A3
SCHEMBL21020851 0.84 SLC6A2 (0.35) SLC9A1SLC6A2CYP2D6SLC6A4SLC6A3
SCHEMBL21021688 0.79 SLC9A1 (0.34) SLC9A1

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed