SCHEMBL4801781

SCHEMBL4801781

O=S(=O)(O)c1cccc(-c2ccccc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.46
ACLY P53396 4/20 0.40
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP1 P29466 2/20 0.39
CHAT P28329 1/20 0.39
SNCA P37840 1/20 0.39
TTR P02766 2/20 0.38
FABP4 P15090 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK14 Q16539 1/20 0.38
HNF4A P41235 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR4A1 P22736 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL4127355 0.85 KAT6A (0.44) KAT6AACLYPTGS2CASP1HNF4A
SCHEMBL232659 0.82 CASP1 (0.47) PTGS2TSHRSMN1; SMN2CASP1CHAT
SCHEMBL29743050 0.82 CASP1 (0.47) PTGS2TSHRSMN1; SMN2CASP1CHAT
SCHEMBL31287755 0.81 PTGS1 (0.47) KAT6APTGS2
SCHEMBL28022697 0.81 PTGS2 (0.52) KAT6AACLYPTGS2
SCHEMBL392931 0.81 TSHR (0.41) PTGS2TSHRSMN1; SMN2CASP1CHAT
SCHEMBL30166530 0.81 TSHR (0.41) PTGS2TSHRSMN1; SMN2CASP1CHAT
Lithium SCHEMBL3173875 0.80 CASP1 (0.46) PTGS2TSHRSMN1; SMN2CASP1CHAT
SCHEMBL29194067 0.80 CASP1 (0.46) PTGS2TSHRSMN1; SMN2CASP1CHAT
SCHEMBL28934633 0.80 CASP1 (0.46) PTGS2TSHRSMN1; SMN2CASP1CHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924554-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2008-05-28 EP disclosed
WO-2007034035-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2007-03-29 WO disclosed