SCHEMBL31339939

SCHEMBL31339939

O=C(O)c1cc2ccc(C(F)(F)F)cc2n(-c2ccc(OC(F)F)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
RORC P51449 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
TDP2 O95551 2/20 0.39
TSHR P16473 1/20 0.39
MAT2A P31153 2/20 0.39
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PLA2G10 O15496 2/20 0.37
PLA2G2A P14555 2/20 0.37
LIPG Q9Y5X9 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL31339826 0.83 TDP2 (0.42) MEN1KMT2ATDP2MAT2APPARG
SCHEMBL31339912 0.81 TDP2 (0.45) MEN1KMT2ATDP2MAT2APLA2G10
Hydrochloric Acid SCHEMBL31339922 0.79 NOTUM (0.40) MAPTTDP2MAT2APLA2G10PLA2G2A
SCHEMBL31339850 0.79 KDM1A (0.42) TDP2PLA2G10PLA2G2ALIPGNOTUM
SCHEMBL27642609 0.77 KCNH2 (0.48) TDP2TSHRMAT2APPARGPPARA
SCHEMBL31339881 0.76 KDM4E (0.44) TDP2PPARAPLA2G10PLA2G2ANOTUM
SCHEMBL31339821 0.75 PTPRC (0.39) TDP2PLA2G10PLA2G2ANOTUMPLA2G5
SCHEMBL31339808 0.74 TBK1 (0.37) SMN1; SMN2HTTMEN1KMT2ATDP2
SCHEMBL31339874 0.74 MAT2A (0.51) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL31339907 0.73 PLA2G10 (0.52) SMN1; SMN2HTTLMNAMEN1MAPT

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-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed