SCHEMBL9500286

SCHEMBL9500286

CCOC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 4/20 0.48
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HIF1A Q16665 1/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
FFAR4 Q5NUL3 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
PLA2G7 Q13093 1/20 0.45
NHERF1 O14745 1/20 0.45
HTT P42858 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCR2 P41597 1/20 0.44

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
SCHEMBL9363672 0.91 KMT2A (0.46) SMN1; SMN2KMT2ALMNANPSR1L3MBTL1
SCHEMBL9363851 0.86 MAPT (0.52) KMT2ALMNANPSR1L3MBTL1MAPT
SCHEMBL9502880 0.86 NPC1 (0.51) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL9501420 0.82 SLC22A12 (0.56) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL9499874 0.82 NPC1 (0.50) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL9500262 0.82 HIF1A (0.43) SMN1; SMN2KMT2ALMNANPSR1L3MBTL1
SCHEMBL9363653 0.81 MAPT (0.50) KMT2ALMNANPSR1L3MBTL1MAPT
SCHEMBL9503090 0.79 SLC22A12 (0.43) SMN1; SMN2NPC1RAB9AHIF1ASLC22A12
SCHEMBL9363840 0.79 ERAP1 (0.44) KMT2ALMNANPSR1L3MBTL1MAPT
SCHEMBL9363798 0.78 EPHX2 (0.46) SMN1; SMN2NPC1RAB9ALMNAMAPT

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-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed