SCHEMBL9954692

SCHEMBL9954692

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
NPC1 O15118 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
ALPL P05186 1/20 0.38
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CCR4 P51679 3/20 0.36
GLA P06280 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
SCHEMBL14305922 0.86 SHMT2 (0.39) SHMT2MEN1KMT2APOLBSMN1; SMN2
SCHEMBL14247692 0.85 MEN1 (0.42) SHMT2MEN1KMT2APOLBALDH1A1
SCHEMBL9953641 0.84 SHMT2 (0.44) SHMT2MEN1KMT2APOLBALDH1A1
SCHEMBL16007223 0.84 ALDH1A1 (0.38) SHMT2MEN1KMT2APOLBALDH1A1
SCHEMBL16007312 0.81 LRRK2 (0.42) SHMT2ALDH1A1SMN1; SMN2LMNA
SCHEMBL9955406 0.81 GLA (0.42) SHMT2MEN1KMT2APOLBSMN1; SMN2
SCHEMBL14305923 0.81 SMN1; SMN2 (0.57) SHMT2MEN1KMT2APOLBALDH1A1
SCHEMBL9952694 0.81 NPSR1 (0.46) SHMT2MEN1KMT2APOLBALDH1A1
SCHEMBL9954056 0.80 SHMT2 (0.39) SHMT2MEN1KMT2APOLBPIK3C3
SCHEMBL14305925 0.80 SHMT2 (0.39) SHMT2MEN1KMT2APOLBALDH1A1

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