SCHEMBL8915526

SCHEMBL8915526

COC(=O)Cc1c(F)ccc(N)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CFTR P13569 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
AKR1C3 P42330 1/20 0.34
EGFR P00533 3/20 0.33
PDK2 Q15119 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6286616 0.83 GAA (0.45) GAAALDH1A1GFERSMN1; SMN2L3MBTL1
SCHEMBL8772047 0.81 ICMT (0.32) ALDH1A1KDM4EHSD17B10
SCHEMBL22655985 0.74 SMN1; SMN2 (0.44) GAAALDH1A1GFERSMN1; SMN2L3MBTL1
SCHEMBL8914214 0.73 SMN1; SMN2 (0.51) GAASMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL9985451 0.72 SMN1; SMN2 (0.56) GAAALDH1A1GFERSMN1; SMN2L3MBTL1
SCHEMBL5734658 0.69 ALDH1A1 (0.69) GAAALDH1A1GFERSMN1; SMN2CYP4F2
SCHEMBL5957236 0.69 ALDH1A1 (0.64) GAAALDH1A1GFERSMN1; SMN2CYP4F2
SCHEMBL1457038 0.69 SMN1; SMN2 (0.50) GAAALDH1A1SMN1; SMN2L3MBTL1CYP4F2
SCHEMBL7714693 0.69 GAA (0.44) GAAALDH1A1GFERSMN1; SMN2L3MBTL1
SCHEMBL30192992 0.69 ALDH1A1 (0.64) GAAALDH1A1GFERSMN1; SMN2CYP4F2

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-5686492-A NMR DIAGNOSTIC AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-11-11 US disclosed