SCHEMBL29129641

SCHEMBL29129641

FC(F)C(F)(Br)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.41
CES2 O00748 1/20 0.34
RAPGEF3 O95398 2/20 0.34
NOTUM Q6P988 3/20 0.33
KMO O15229 2/20 0.33
DAO P14920 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TSHR P16473 1/20 0.32
P2RX7 Q99572 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
SCHEMBL3789260 0.80 PDE2A (0.56) PDE2ACES2KMODAOMRGPRX4
SCHEMBL29129620 0.79 PDE2A (0.36) PDE2ARAPGEF3TSHR
SCHEMBL11599290 0.76 TSHR (0.58) PDE2ACES2RAPGEF3NOTUMKMO
SCHEMBL29129628 0.76 TSHR (0.33) PDE2ATSHR
SCHEMBL29129649 0.76 MAPT (0.43) CES2NOTUMIDO1
SCHEMBL4792259 0.75 PDE2A (0.51) PDE2ACES2RAPGEF3NOTUM
SCHEMBL29129617 0.74 ALDH1A1 (0.36) PDE2A
SCHEMBL29129639 0.74 SLC1A5 (0.39) KMOMRGPRX4
SCHEMBL23207395 0.73 PDE2A (0.46) PDE2ACES2RAPGEF3NOTUMP2RX7
SCHEMBL29129632 0.72 PDE2A (0.32) PDE2A

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
CN-110505874-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-09-26 CN disclosed