SCHEMBL9955800

SCHEMBL9955800

O=C(O)NCCCOc1cccc(NS(=O)(=O)c2cc(Br)cnc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.50
FABP1 P07148 2/20 0.46
F2 P00734 7/20 0.44
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ACLY P53396 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL12474952 0.97 ALPL (0.51) ALPLFABP1F2ALDH1A1SMN1; SMN2
SCHEMBL9955131 0.87 FABP1 (0.44) ALPLFABP1F2ALDH1A1SMN1; SMN2
SCHEMBL12474801 0.84 ALDH1A1 (0.45) ALPLFABP1F2ALDH1A1SMN1; SMN2
SCHEMBL10289065 0.77 ITK (0.48) FABP1F2MAPT
SCHEMBL10288674 0.76 ALPL (0.70) ALPLNPC1MEN1KMT2AMAPT
SCHEMBL9955125 0.75 F2 (0.51) FABP1F2ALDH1A1SMN1; SMN2DRD2
SCHEMBL4544125 0.72 KDM4E (0.62) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL16926583 0.71 CDK1 (0.60) ALPLMEN1KMT2AMAPT
SCHEMBL790242 0.70 ALPL (0.58) ALPLFABP1F2ALDH1A1SMN1; SMN2
SCHEMBL17163970 0.70 DRD2 (0.64) ALDH1A1KMT2ADRD2DRD4MAPT

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed