SCHEMBL9954091

SCHEMBL9954091

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.61
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 3/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
DGAT1 O75907 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 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
SCHEMBL14247605 0.85 PDGFRB (0.48) ALPLLMNAPOLBDGAT1KMT2A
SCHEMBL10289073 0.85 ALPL (0.56) ALPLALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL14317989 0.85 ALPL (0.59) ALPLALDH1A1SMN1; SMN2POLBDGAT1
SCHEMBL798423 0.84 ALPL (0.76) ALPLALDH1A1LMNAKMT2A
SCHEMBL9953535 0.83 ALPL (0.57) ALPLSMN1; SMN2DGAT1
SCHEMBL9953313 0.82 ALPL (0.55) ALPLALDH1A1DGAT1
SCHEMBL31113862 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL9955177 0.82 ALPL (0.56) ALPLALDH1A1SMN1; SMN2DGAT1MEN1
SCHEMBL31113866 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL9955039 0.81 ALPL (0.54) ALPLALDH1A1POLBDGAT1MEN1

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-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