SCHEMBL5819243

SCHEMBL5819243

COC(=O)c1ccc(CSc2nnc(C[S])n2-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
ALDH1A1 P00352 4/20 0.68
LMNA P02545 3/20 0.68
GAA P10253 1/20 0.68
HPGD P15428 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
TSHR P16473 2/20 0.55
THRB P10828 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
HDAC3 O15379 1/20 0.49

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
SCHEMBL5819247 0.89 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL28485044 0.77 LMNA (0.54) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL30997232 0.77 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL28478277 0.76 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL24019811 0.72 HPGD (0.76) ALDH1A1LMNAGAAHPGDNPSR1
SCHEMBL3916950 0.71 RAB9A (0.61) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL4210833 0.69 OPRK1 (0.74) SMN1; SMN2ALDH1A1NPSR1TSHRTHRB
SCHEMBL4215568 0.69 HDAC2 (0.58) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL1073002 0.69 NPC1 (1.00) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL24019576 0.69 HPGD (0.74) ALDH1A1LMNAGAAHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed