SCHEMBL3664099

SCHEMBL3664099

NS(=O)(=O)c1ccccc1N[C@H](CCNCc1ccncc1)CSc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.40
CA1 P00915 9/20 0.35
CA2 P00918 9/20 0.35
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 1/20 0.35
CA4 P22748 1/20 0.35
PTGES2 Q9H7Z7 3/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL3949205 0.85 BCL2L1 (0.40) BCL2L1CA1CA2CA4L3MBTL1
SCHEMBL4733710 0.84 BCL2L1 (0.43) BCL2L1CA1CA2CA12CA9
SCHEMBL3663913 0.76 CA2 (0.42) BCL2L1CA1CA2CA12CA9
SCHEMBL28977066 0.76 BCL2L1 (0.66) BCL2L1CA1CA2CA12CA9
SCHEMBL4735838 0.76 BCL2L1 (0.45) BCL2L1CA1CA2CA12CA9
SCHEMBL1540345 0.74 CYP3A4 (0.44) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4733878 0.72 BCL2L1 (0.59) BCL2L1CA1CA2
SCHEMBL1540344 0.72 CYP3A4 (0.44) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4731200 0.71 BCL2L1 (0.57) BCL2L1CA1CA2
SCHEMBL28977050 0.71 BCL2L1 (0.61) BCL2L1CA2CA4

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