SCHEMBL4184543

SCHEMBL4184543

CC(C)(C)[S+]([O-])NC(CS(C)(=O)=O)c1ccc(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.38
HDAC6 Q9UBN7 2/20 0.36
NTRK1 P04629 2/20 0.31
ALK Q9UM73 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4023097 0.81 APLNR (0.35) APLNRALDH1A1
SCHEMBL3946528 0.80 APLNR (0.34) APLNRHDAC6NTRK1
SCHEMBL4021434 0.79 HDAC6 (0.32) APLNRHDAC6
SCHEMBL4030776 0.79 APLNR (0.34) APLNRNTRK1
SCHEMBL1439307 0.76 HDAC6 (0.30) HDAC6
SCHEMBL1693207 0.76 HDAC6 (0.30) HDAC6
SCHEMBL3015031 0.76 HDAC6 (0.30) HDAC6
SCHEMBL4019567 0.76 HDAC6 (0.30) HDAC6
SCHEMBL346024 0.76 HDAC6 (0.41) APLNRHDAC6NTRK1ALK
SCHEMBL3238364 0.76 HDAC6 (0.41) APLNRHDAC6NTRK1ALK

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-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed