SCHEMBL9954056

SCHEMBL9954056

COc1ncc(Br)cc1S(=O)(=O)NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ALPL P05186 4/20 0.36
NPC1 O15118 1/20 0.36
PIK3C3 Q8NEB9 3/20 0.35
S100A9 P06702 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL9954692 0.80 SHMT2 (0.42) SHMT2MEN1KMT2APOLBALPL
SCHEMBL9953641 0.80 SHMT2 (0.44) SHMT2MEN1KMT2APOLBALPL
SCHEMBL9955406 0.77 GLA (0.42) SHMT2MEN1KMT2APOLBALPL
SCHEMBL20680333 0.76 SHMT2 (0.40) SHMT2MEN1KMT2APOLBALPL
SCHEMBL14305923 0.76 SMN1; SMN2 (0.57) SHMT2MEN1KMT2APOLBALPL
SCHEMBL9952694 0.76 NPSR1 (0.46) SHMT2MEN1KMT2APOLBALPL
SCHEMBL10288904 0.76 ALPL (0.56) ALPLPIK3C3AAK1
SCHEMBL14305925 0.76 SHMT2 (0.39) SHMT2MEN1KMT2APOLBALPL
SCHEMBL14305922 0.76 SHMT2 (0.39) SHMT2MEN1KMT2APOLBALPL
SCHEMBL10289140 0.76 KMT2A (0.44) SHMT2MEN1KMT2AKDM4EHSD17B10

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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed