SCHEMBL31363077

SCHEMBL31363077

O=C(O)c1c(Oc2cccc(C(F)(F)F)c2)cnn1-c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.43
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RY1 P47900 5/20 0.42
PPARA Q07869 2/20 0.42
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL31362960 0.88 KDM4E (0.47) PPARGGAAL3MBTL1KDM4EMAPT
SCHEMBL31405505 0.83 PPARG (0.51) PPARGGAAMAPTPPARAICAM1
SCHEMBL31719628 0.78 PPARG (0.47) PPARGGAAMAPTPPARAICAM1
SCHEMBL31362950 0.77 RAB9A (0.36) GAAL3MBTL1KDM4EMAPTMAPK1
SCHEMBL31405509 0.76 ATM (0.49) PPARGKDM4EMAPTPPARAICAM1
SCHEMBL31405504 0.74 ICAM1 (0.49) PPARGGAAMAPTP2RY1PPARA
SCHEMBL31405510 0.74 GAA (0.49) PPARGGAAKDM4EPPARAMRGPRX4
SCHEMBL31163186 0.69 ICAM1 (0.50) PPARGGAAL3MBTL1KDM4EMAPT
SCHEMBL1340202 0.67 P2RY1 (0.56) P2RY1
SCHEMBL29006568 0.67 PTGER4 (0.46) PPARGGAAL3MBTL1P2RY1ICAM1

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