SCHEMBL27531908

SCHEMBL27531908

NS(=O)(=O)[C](c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.46
CA1 P00915 8/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 5/20 0.46
CA14 Q9ULX7 4/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
PARP1 P09874 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL11832605 0.79 CA2 (0.46) CA2CA1CA9CA12CA14
SCHEMBL1019800 0.77 TSHR (0.50) CA2CA1CA9CA12CA14
SCHEMBL5351434 0.76 TSHR (0.48) CA2CA1CA9CA12CA14
SCHEMBL1653521 0.75 CA2 (0.42) CA2CA1CA9CA12CA14
SCHEMBL28742455 0.75 CA1 (0.42) CA2CA1CA9CA12CA14
SCHEMBL1705972 0.75 CA2 (0.42) CA2CA1CA9CA12CA14
Benzoic Acid SCHEMBL28002531 0.74 TSHR (0.74) CA2CA1CA9CA12CA14
SCHEMBL11538453 0.72 PTGS2 (0.47) CA2CA1CA9CA12CA14
SCHEMBL11538451 0.72 PTGS2 (0.47) CA2CA1CA9CA12CA14
SCHEMBL11544195 0.70 PTGS2 (0.46) CA2CA1CA9CA12CA14

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
CN-1237164-A compounds useful as farnesyl-protein transferase inhibitors SCHERING CORP (US) 1999-12-01 CN disclosed