SCHEMBL25459999

SCHEMBL25459999

COc1ccc2onc(CS(N)(=O)=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA9 Q16790 2/20 0.57
LMNA P02545 1/20 0.57
CA3 P07451 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
MAOB P27338 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA13 Q8N1Q1 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL24795771 0.87 ACHE (0.43) CA2CA12CA1CA9LMNA
SCHEMBL19119200 0.82 ENPP1 (0.47) CA2CA12CA1CA9LMNA
SCHEMBL19141722 0.82 ACHE (0.47) LMNAACHESMN1; SMN2MAPTKDM4E
SCHEMBL9122304 0.79 ACHE (0.51) MAOBACHESMN1; SMN2MAPTKDM4E
SCHEMBL19141923 0.79 ACHE (0.47) LMNAACHESMN1; SMN2MAPTKDM4E
SCHEMBL19141926 0.79 ACHE (0.43) CA2ACHESMN1; SMN2MAPTKDM4E
SCHEMBL11798029 0.79 MAPT (0.51) LMNAACHESMN1; SMN2MAPTKDM4E
SCHEMBL25459991 0.78 ALDH1A1 (0.47) LMNAMAOBACHESMN1; SMN2MAPT
SCHEMBL7317657 0.78 LMNA (0.62) CA2CA12CA1CA9LMNA
SCHEMBL7307801 0.78 LMNA (0.62) CA2CA12CA1CA9LMNA

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
EP-4180090-A1 BENZISOXAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-05-17 EP disclosed