SCHEMBL9328510

SCHEMBL9328510

COC(=O)c1cc(Cl)c(F)c(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ABL1 P00519 1/20 0.42
SOS1 Q07889 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NQO2 P16083 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK4 Q16654 1/20 0.38

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
SCHEMBL30417663 0.87 GAA (0.49) GAASMN1; SMN2HPGDALDH1A1ABL1
SCHEMBL29007955 0.87 GAA (0.49) GAASMN1; SMN2HPGDALDH1A1ABL1
SCHEMBL23512993 0.86 GAA (0.45) GAASMN1; SMN2HPGDALDH1A1ABL1
SCHEMBL23496881 0.84 SOS1 (0.49) GAASMN1; SMN2HPGDALDH1A1ABL1
SCHEMBL23496738 0.84 GAA (0.51) GAASMN1; SMN2HPGDALDH1A1ABL1
SCHEMBL29813065 0.84 SOS1 (0.49) GAASMN1; SMN2HPGDALDH1A1ABL1
SCHEMBL27691385 0.82 ITGB1 (0.35) GAASMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL28023225 0.81 GAA (0.44) GAASMN1; SMN2HPGDALDH1A1ABL1
SCHEMBL23826308 0.81 SOS1 (0.49) GAASMN1; SMN2HPGDALDH1A1ABL1
SCHEMBL9327846 0.81 CA12 (0.36) GAAMEN1KMT2ALMNACA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296479-B1 Fluorobenzoates and process for their production IHARA CHEMICAL IND CO (JP) 1994-03-30 EP disclosed
US-4916253-A Fluorobenzoates and process for their production IHARA CHEMICAL INDUSTRY COMPANY, LTD. (JP) 1990-04-10 US disclosed
EP-0296479-A2 Fluorobenzoates and process for their production IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1988-12-28 EP disclosed