SCHEMBL9427142

SCHEMBL9427142

C=CCOc1ncnc(OCC=C)c1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.49
CA2 P00918 5/20 0.49
CA1 P00915 4/20 0.49
CA7 P43166 3/20 0.49
CA12 O43570 3/20 0.49
CDK1 P06493 2/20 0.36
CDK2 P24941 2/20 0.36
CCNB1 P14635 1/20 0.36
MGMT P16455 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
ATG7 O95352 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.32
PTPRC P08575 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
KDR P35968 1/20 0.32
CA4 P22748 1/20 0.31
MAPT P10636 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
SCHEMBL9427098 0.76 CA1 (0.50) CA9CA2CA1CA7CA12
SCHEMBL3823139 0.72 CDK1 (0.38) CA9CA2CA1CA7CA12
SCHEMBL9741879 0.71 MAP3K7 (0.40) CA9CA2CA1CA7CA12
SCHEMBL10731953 0.70 CA1 (0.47) CA9CA2CA1CA7CA12
SCHEMBL1131655 0.67 CA12 (0.47) CA9CA2CA1CA7CA12
SCHEMBL9427605 0.67 TRPV4 (0.40) CA2CA1CA7CA12ATG7
SCHEMBL9741092 0.67 CA1 (0.45) CA9CA2CA1CA7CA12
SCHEMBL9741500 0.66 CA1 (0.41) CA9CA2CA1CA7CA12
SCHEMBL9742875 0.66 MAP3K7 (0.36) CA9CA2CA1MAPT
SCHEMBL6270505 0.66 CDK1 (0.47) CDK1CDK2CCNB1MGMTCCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298480-A Plant growth regulators ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1994-03-29 US disclosed
WO-1993010103-A1 HERBICIDAL SULFONYLURIA DERIVATIVES ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1993-05-27 WO disclosed
EP-0457581-A1 Herbicidal sulfonylurea derivatives ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1991-11-21 EP disclosed