SCHEMBL30951222

SCHEMBL30951222

CC(=O)c1nc(C)c(-c2ccc(F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.41
GRM2 Q14416 3/20 0.40
ABCB1 P08183 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
DPP4 P27487 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL31353352 0.79 GRM2 (0.44) MAPK14PTGS2GRM2CYP1A2CYP2C9
SCHEMBL30951245 0.71 SMN1; SMN2 (0.39) PTGS2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30951203 0.68 PTPN1 (0.37) MAPK14PTGS2GRM2SMN1; SMN2DPP4
SCHEMBL1226198 0.67 PTGS1 (0.54) MAPK14PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL23249837 0.66 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL29891220 0.66 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL4778508 0.66 DHODH (0.43) MAPK14GRM2NPC1RAB9ASMN1; SMN2
SCHEMBL29812203 0.66 GRM2 (0.56) GRM2DPP4KDM4E
SCHEMBL20303036 0.65 SMN1; SMN2 (0.38) PTGS2SMN1; SMN2KMT2A
SCHEMBL15058043 0.65 DHODH (0.48) MAPK14GRM2ADORA2ADHODH

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-4634188-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2025-10-22 EP disclosed
WO-2024126117-A1 PYRIMIDINONE DERIVATIVES AS PESTICIDAL COMPOUNDS BASF SE (DE) 2024-06-20 WO disclosed