SCHEMBL4633156

SCHEMBL4633156

COC(=O)c1sc(Nc2cc(OC3CCN(C(=O)OCC(C)C)CC3)ccc2[N+](=O)[O-])cc1OCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.38
AR P10275 1/20 0.33
PELP1 Q8IZL8 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MMP13 P45452 1/20 0.32
P2RY12 Q9H244 1/20 0.32
LNPEP Q9UIQ6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL4395477 0.89 GPR119 (0.38) GPR119ALDH1A1
SCHEMBL4409824 0.78 GPR119 (0.40) GPR119ALDH1A1
SCHEMBL4764791 0.75 AKR1B10 (0.33) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL4397750 0.72 GPR119 (0.43) GPR119TRPV1CHRM2CHRM1SMN1; SMN2
SCHEMBL7396050 0.68 KMT2A (0.50) GPR119SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4412237 0.67 PLK1 (0.54) GPR119
SCHEMBL14029675 0.66 PLK1 (0.38) ALDH1A1
SCHEMBL4661126 0.65 MAPT (0.52) SMN1; SMN2ALDH1A1LMNAPOLBMAPT
SCHEMBL23466891 0.65 PDE4B (0.45) GPR119CHRM2CHRM1SMN1; SMN2MMP13
SCHEMBL4404192 0.64 MAPT (0.37) SMN1; SMN2ALDH1A1LMNAPOLBMAPT

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
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed