SCHEMBL9499467

SCHEMBL9499467

O=C(O)C(CO)Nc1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.61
IDH2 P48735 2/20 0.46
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
FABP5 Q01469 2/20 0.43
FABP4 P15090 1/20 0.43
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN5 P54829 2/20 0.42
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
ERAP1 Q9NZ08 1/20 0.41
CNR2 P34972 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
AR P10275 1/20 0.40
PTK2B Q14289 1/20 0.40
GRM4 Q14833 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
SCHEMBL9364384 0.86 SLC22A12 (0.58) SLC22A12IDH2MEN1ALDH1A1KMT2A
SCHEMBL9363377 0.78 SLC22A12 (0.56) SLC22A12IDH2MEN1ALDH1A1KMT2A
SCHEMBL9368795 0.78 SLC22A12 (0.72) SLC22A12MEN1ALDH1A1KMT2AFABP5
SCHEMBL9363828 0.77 CA2 (0.51) SLC22A12IDH2KMT2APTPN2PTPN1
SCHEMBL9363435 0.77 SLC22A12 (0.45) SLC22A12IDH2PTPN2PTPN1PTPN5
SCHEMBL9501130 0.77 SLC22A12 (0.57) SLC22A12IDH2MEN1ALDH1A1KMT2A
SCHEMBL9367198 0.74 SLC22A12 (0.60) SLC22A12MEN1ALDH1A1KMT2AFABP5
SCHEMBL9653439 0.74 SLC22A12 (0.56) SLC22A12IDH2MEN1ALDH1A1KMT2A
SCHEMBL9364058 0.74 SLC22A12 (0.62) SLC22A12IDH2MEN1ALDH1A1KMT2A
SCHEMBL9363628 0.72 SLC22A12 (0.60) SLC22A12MEN1ALDH1A1KMT2AFABP5

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