SCHEMBL31362950

SCHEMBL31362950

COC(=O)N(Cc1ccc(C)cc1C)NC(=O)c1c(Oc2cccc(C(F)(F)F)c2)cnn1-c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
P2RY1 P47900 4/20 0.36
L3MBTL1 Q9Y468 5/20 0.34
GAA P10253 4/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
CCR2 P41597 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALPG P10696 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MET P08581 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 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
SCHEMBL31163187 0.78 LMNA (0.39) RAB9AP2RY1GAAMAPTNPSR1
SCHEMBL31363077 0.77 PPARG (0.43) P2RY1L3MBTL1GAAMAPTMAPK1
SCHEMBL31362960 0.77 KDM4E (0.47) RAB9AP2RY1L3MBTL1GAAMAPT
SCHEMBL31362970 0.77 AKR1C3 (0.40) RAB9AP2RY1MAPTNPSR1KDM4E
SCHEMBL32671441 0.77 RAB9A (0.37) RAB9AP2RY1L3MBTL1GAAMAPT
SCHEMBL31362992 0.76 CETP (0.35) RAB9AL3MBTL1GAAKDM4ECCR2
SCHEMBL31363079 0.75 P2RY1 (0.38) RAB9AP2RY1MAPTNPSR1KDM4E
SCHEMBL31362973 0.74 MAPT (0.35) L3MBTL1GAAMAPTNPSR1KDM4E
SCHEMBL31362977 0.73 LMNA (0.40) GAAMAPTNPSR1KDM4ECYP1A2
SCHEMBL31163259 0.71 SMN1; SMN2 (0.37) RAB9AP2RY1L3MBTL1GAAMAPT

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
WO-2025033011-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2025-02-13 WO disclosed