SCHEMBL10272076

SCHEMBL10272076

CCSc1nc(OCCCNC(=O)OC(C)(C)C)c(C(N)=O)c([S+](C)[O-])n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
STING1 Q86WV6 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CSNK1D P48730 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL2718415 0.84 CA12 (0.41) CA1CA2CA12CA9STK17B
SCHEMBL2716329 0.76 ITK (0.45) CA1CA2CA12CA9NPSR1
SCHEMBL2717865 0.72 CA12 (0.39) CA1CA2CA12CA9STK17B
SCHEMBL22847628 0.66 CA12 (0.38) CA1CA2CA12CA9NPSR1
SCHEMBL20283057 0.66 CA1 (0.48) CA1CA2CA12CA9STK17B
SCHEMBL17563718 0.65 ADORA2A (0.43) STK17BSTK17AMAOAMAOBMEN1
SCHEMBL24936290 0.65 STK17B (0.46) CA1CA2CA12CA9STK17B
SCHEMBL30522690 0.65 STK17B (0.46) CA1CA2CA12CA9STK17B
SCHEMBL2718598 0.65 MEN1 (0.38) MEN1KMT2A
SCHEMBL17563559 0.65 BCHE (0.44) STK17BSTK17ANPSR1MEN1KMT2A

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-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed