SCHEMBL8892369

SCHEMBL8892369

Cc1ncc(S(=O)(=O)CCc2ccc(N)cc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
NPC1 O15118 2/20 0.36
KMT2A Q03164 1/20 0.36
GFER P55789 2/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
GAA P10253 1/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRK6 P43250 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 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
SCHEMBL8891249 0.75 TSHR (0.50) KMT2ACA12CA1CA2CA9
SCHEMBL13969733 0.69 KMT2A (0.66) RECQLNPC1KMT2AGFERCA12
SCHEMBL2044233 0.69 RECQL (0.67) RECQLGFERCA12CA1CA2
SCHEMBL31028744 0.67 CA2 (0.51) CA12CA1CA2CA9HTT
SCHEMBL11281060 0.66 RECQL (0.69) RECQLGFERCA12CA1CA2
SCHEMBL10765545 0.66 RECQL (0.62) RECQLGFERCA12CA1CA2
SCHEMBL6509990 0.65 MAOB (0.57) RECQLNPC1KMT2AGFERCA12
SCHEMBL11166463 0.65 RECQL (0.96) RECQLGFERCA12CA1CA2
SCHEMBL25230363 0.63 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL8899345 0.63 RECQL (0.64) RECQLGFERCA12CA1CA2

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-1997024340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed