SCHEMBL30404253

SCHEMBL30404253

CCS(=O)(=O)c1c(-c2nc3cc4c(cc3n2C)OC(F)(F)C(F)(F)O4)nc(-c2cccc(Br)c2)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.38
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 1/20 0.33
KIT P10721 2/20 0.32
PTGER4 P35408 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 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
SCHEMBL24174599 1.00 MAPT (0.39) MAPTPTGS2PTGS1LMNATSHR
SCHEMBL24175435 0.90 PTGS2 (0.39) MAPTPTGS2PTGS1LMNATSHR
SCHEMBL24170315 0.90 CA1 (0.36) MAPTTSHRMEN1KMT2APTGER4
SCHEMBL24175247 0.90 HDAC1 (0.36) MAPTPTGS2TSHRHSD17B10MEN1
SCHEMBL30404861 0.89 PTGS2 (0.39) MAPTPTGS2PTGS1LMNAHSD17B10
SCHEMBL24174600 0.89 PTGS2 (0.39) MAPTPTGS2PTGS1LMNAHSD17B10
SCHEMBL24174808 0.87 KIT (0.31) KITPTGER4
SCHEMBL25987124 0.86 CA1 (0.34) PTGS2PTGS1MEN1KMT2APTGER4
SCHEMBL24175262 0.85 NPC1 (0.33) CA12CA9NPC1RAB9A
SCHEMBL24175628 0.85 CA1 (0.37) PTGS2PTGS1MEN1KMT2APTGER4

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-4175961-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2023-05-10 EP disclosed