SCHEMBL21029939

SCHEMBL21029939

CCc1ccc(C2C(c3ccc(Cl)c(F)c3)C2(O)Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 3/20 0.37
SLC9A1 P19634 1/20 0.36
SLC5A1 P13866 2/20 0.36
GAA P10253 1/20 0.34
MDM2 Q00987 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
ATM Q13315 1/20 0.32
TRPA1 O75762 1/20 0.32
NLRP1 Q9C000 1/20 0.32

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
SCHEMBL21020918 0.84 SLC5A2 (0.35) SLC5A2SLC9A1SLC5A1GAAMAPT
SCHEMBL21021712 0.81 SLC5A2 (0.36) SLC5A2SLC5A1GAAMAPTMAPK1
SCHEMBL21021248 0.79 SLC9A1 (0.39) SLC5A2SLC9A1SLC5A1ATM
SCHEMBL21021175 0.78 SLC5A2 (0.34) SLC5A2SLC5A1GAAMAPTMAPK1
SCHEMBL20076684 0.77 SLC9A1 (0.38) SLC5A2SLC9A1SLC5A1MDM2TP53
SCHEMBL21021542 0.72 SLC9A1 (0.37) SLC5A2SLC9A1SLC5A1LMNASLC6A2
SCHEMBL257064 0.72 TRPA1 (0.41) MAPTMAPK1LMNATP53SLC6A2
SCHEMBL21022153 0.71 KDM1A (0.34) SLC9A1MAPTMAPK1LMNAATM
Ammonia Solution, Strong SCHEMBL15467924 0.70 MAPT (0.40) MAPTMAPK1LMNATP53SLC6A2
SCHEMBL21021588 0.69 SLC5A2 (0.35) SLC5A2SLC9A1SLC5A1GAA

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