SCHEMBL9953524

SCHEMBL9953524

COc1ncc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.54
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALPL P05186 4/20 0.46
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
PIK3CD O00329 1/20 0.44

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
SCHEMBL9953447 0.88 SHMT2 (0.49) SHMT2MEN1KMT2AALPLNPC1
SCHEMBL806771 0.88 SHMT2 (0.55) SHMT2LMNAALDH1A1MEN1KMT2A
SCHEMBL9954777 0.87 PIK3CD (0.56) SHMT2MEN1KMT2AALPLNPC1
SCHEMBL806782 0.86 SMN1; SMN2 (0.54) SHMT2LMNAALDH1A1MEN1KMT2A
SCHEMBL9953017 0.84 PI4KA (0.53) LMNAPIK3R1PIK3CAPIK3CGPIK3C3
SCHEMBL30902109 0.84 PI4KA (0.53) LMNAPIK3R1PIK3CAPIK3CGPIK3C3
SCHEMBL16996888 0.84 PIK3C3 (0.60) MEN1KMT2APIK3R1PIK3CAPIK3CG
SCHEMBL806765 0.82 LMNA (0.53) SHMT2LMNAALDH1A1MEN1KMT2A
SCHEMBL806788 0.80 POLB (0.53) SHMT2ALDH1A1MEN1KMT2APKM
SCHEMBL15211892 0.80 ALPL (0.72) LMNAALDH1A1SMN1; SMN2ALPL

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