SCHEMBL3663913

SCHEMBL3663913

NS(=O)(=O)c1ccccc1N[C@H](CSc1ccccc1)Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 1/20 0.42
PTGES2 Q9H7Z7 2/20 0.41
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL2L1 Q07817 2/20 0.38
P2RY2 P41231 1/20 0.37
P2RY1 P47900 1/20 0.37
P2RY4 P51582 1/20 0.37
P2RY12 Q9H244 1/20 0.37
ECE1 P42892 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL4733710 0.78 BCL2L1 (0.43) CA2CA1CA12CA9CA14
SCHEMBL4735838 0.78 BCL2L1 (0.45) CA2CA1CA12CA9PTGES2
SCHEMBL3664099 0.76 BCL2L1 (0.40) CA2CA1CA12CA9CA14
SCHEMBL1540298 0.71 HTT (0.45) KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL4733878 0.70 BCL2L1 (0.59) CA2CA1BCL2L1
SCHEMBL4731200 0.69 BCL2L1 (0.57) CA2CA1BCL2L1
SCHEMBL1540297 0.69 SMN1; SMN2 (0.45) KMT2AHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL1876579 0.65 CA2 (0.50) CA2CA1CA12CA9CA14
SCHEMBL3661739 0.64 CA2 (0.56) CA2CA1CA12CA9PTGES2
SCHEMBL7144287 0.64 CA2 (0.49) CA2CA1CA12CA9PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231159-A1 METHOD OF TREATING ARTHRITIS Abbott Laboratories (US) 2010-09-29 EP disclosed
WO-2009064938-A1 METHOD OF TREATING ARTHRITIS ABBOTT LABORATORIES (US) 2009-05-22 WO disclosed