SCHEMBL3968320

SCHEMBL3968320

CCCCc1c(B(O)O)cccc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.41
LIPG Q9Y5X9 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 11/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 5/20 0.39
CDK2 P24941 1/20 0.37
LPL P06858 2/20 0.36
CA7 P43166 3/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
SLC37A4 O43826 1/20 0.34
CA6 P23280 3/20 0.33
CA5A P35218 2/20 0.33
CA4 P22748 2/20 0.33

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
SCHEMBL3448715 0.84 CDK2 (0.41) CA2CA1CA9CA12CDK2
SCHEMBL2724413 0.80 CA2 (0.48) CA2SMN1; SMN2CA1CA9CA12
SCHEMBL27643670 0.80 CA2 (0.48) CA2SMN1; SMN2CA1CA9CA12
SCHEMBL6062879 0.80 CA2 (0.45) CA2SMN1; SMN2CA1CA9CA12
SCHEMBL5514013 0.79 CA2 (0.41) CA2SMN1; SMN2CA1CA9CA12
SCHEMBL27985077 0.78 CA2 (0.44) CA2SMN1; SMN2CA1CA9CA12
SCHEMBL31344740 0.76 BID (0.46) CA2LIPGSMN1; SMN2CA1CA9
SCHEMBL21439079 0.76 CA2 (0.41) CA2SMN1; SMN2CA1CA9CA12
SCHEMBL11157738 0.76 PTGES2 (0.44) CA2SMN1; SMN2CA1CA9CA12
SCHEMBL2066500 0.75 CDK2 (0.44) CA2CA1CA9CA12CDK2

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-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed