SCHEMBL9254576

SCHEMBL9254576

COC(=O)c1cn(C(F)F)c(=O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 7/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 4/20 0.34
NPC1 O15118 2/20 0.34
PKM P14618 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NTSR1 P30989 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGS2 P35354 2/20 0.33

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
SCHEMBL9568798 0.82 DAO (0.40) ALDH1A1MAPTKDM4EKMT2APTGS2
SCHEMBL9093660 0.69 PTGS2 (0.33) PTGS2
SCHEMBL1857270 0.67 PTGS2 (0.50) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL26983495 0.64 NPC1 (0.40) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL8629996 0.63 DAO (0.67) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL70027 0.63 NPSR1 (0.67) LMNANPSR1PPARGNCOA2NCOA1
SCHEMBL20524639 0.62 PTGS2 (0.51) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL13279340 0.62 PTGS2 (0.44) LMNAALDH1A1MAPTKDM4EMAPK1
SCHEMBL21771492 0.61 LMNA (0.38) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL19555810 0.61 FFAR2 (0.41) LMNANPSR1PPARGNCOA2NCOA1

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
US-5395845-A Insecticides ROUSSEL-UCLAF (FR) 1995-03-07 US disclosed