SCHEMBL18360171

SCHEMBL18360171

COC(=O)c1cc(F)c(O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
APEX1 P27695 1/20 0.47
GAA P10253 5/20 0.47
LMNA P02545 5/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ABL1 P00519 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NFKB1 P19838 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
SCHEMBL29046663 0.93 MAPT (0.48) POLBAPEX1GAALMNAMAPT
SCHEMBL1110997 0.87 GAA (0.57) POLBAPEX1GAALMNAMAPT
SCHEMBL9248547 0.85 ALPL (0.50) POLBAPEX1GAALMNAMAPT
SCHEMBL25342477 0.85 CA12 (0.50) POLBGAALMNAMAPTHPGD
SCHEMBL31024702 0.85 CA12 (0.50) POLBGAALMNAMAPTHPGD
SCHEMBL14885169 0.85 CA12 (0.50) POLBGAALMNAMAPTSMN1; SMN2
SCHEMBL23906095 0.83 CA12 (0.48) POLBGAALMNAMAPTHPGD
SCHEMBL2650105 0.83 GAA (0.50) POLBGAALMNAMAPTHPGD
SCHEMBL448027 0.82 GAA (0.47) POLBAPEX1GAALMNAMAPT
SCHEMBL2771214 0.81 GAA (0.49) POLBAPEX1GAALMNAMAPT

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
WO-2017004609-A1 THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed