SCHEMBL28836407

SCHEMBL28836407

CCS(=O)(=O)c1c(N)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
SCN4A P35499 1/20 0.39
HRH4 Q9H3N8 2/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ACP1 P24666 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
DDR1 Q08345 4/20 0.34
KIF11 P52732 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL29937736 1.00 EPHX2 (0.39) EPHX2SCN4AHRH4LMNATP53
SCHEMBL29938032 0.80 LMNA (0.42) LMNATP53ACP1DDR1PTGDR2
SCHEMBL28836383 0.80 LMNA (0.42) LMNATP53ACP1DDR1PTGDR2
SCHEMBL28952691 0.76 LMNA (0.58) LMNATP53MEN1KMT2A
SCHEMBL18050238 0.75 MCL1 (0.43) HRH4LMNATP53DDR1
SCHEMBL30099156 0.73 RXFP1 (0.41) LMNATP53ACP1DDR1MEN1
SCHEMBL28836435 0.73 RXFP1 (0.41) LMNATP53ACP1DDR1MEN1
SCHEMBL18050298 0.71 AGPAT2 (0.39) HRH4ACP1DDR1PTGDR2MEN1
SCHEMBL28836408 0.71 LMNA (0.31) LMNATP53ACP1
SCHEMBL4991537 0.68 ALDH1A1 (0.45) LMNADDR1

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-115023426-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2022-09-06 CN disclosed