SCHEMBL791091

SCHEMBL791091

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.57
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.52
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
SLC40A1 Q9NP59 4/20 0.48
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
GHSR Q92847 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
SCHEMBL29555742 0.82 ALPL (0.58) ALPL
SCHEMBL30333038 0.82 ALPL (0.58) ALPL
SCHEMBL15560224 0.82 ALPL (0.58) ALPL
SCHEMBL29556249 0.82 ALPL (0.52) ALPLSLC40A1GAA
SCHEMBL791102 0.82 ALPL (0.52) ALPLSLC40A1GAA
SCHEMBL790434 0.81 ALPL (0.54) ALPLSLC40A1
SCHEMBL17022159 0.81 SLC22A12 (0.60) ALPLALDH1A1MEN1KMT2ASLC40A1
SCHEMBL790824 0.80 ALPL (0.56) ALPLSLC40A1HPGD
SCHEMBL790895 0.80 ALDH1A1 (0.61) ALDH1A1POLBTSHRMEN1KMT2A
SCHEMBL29556839 0.80 ALPL (0.56) ALPLSLC40A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed