SCHEMBL8345252

SCHEMBL8345252

COc1ccc(CNC(=O)c2ccc3c(c2)SC(Cc2ccc(Cl)cc2)C(=O)N3C)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
GFER P55789 1/20 0.49
MAPT P10636 8/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
DRD2 P14416 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MMP13 P45452 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
SCHEMBL6744187 0.84 GFER (0.47) GFERMAPTALDH1A1LMNAPOLB
SCHEMBL6664679 0.81 SMN1; SMN2 (0.51) SMN1; SMN2GFERMAPTALDH1A1POLB
SCHEMBL8343166 0.75 DRD2 (0.48) SMN1; SMN2GFERMAPTALDH1A1LMNA
SCHEMBL16562244 0.74 RAB9A (0.74) SMN1; SMN2MAPTALDH1A1POLBGAA
SCHEMBL6835489 0.74 SMN1; SMN2 (0.51) SMN1; SMN2GFERMAPTALDH1A1LMNA
SCHEMBL6686372 0.73 ALDH1A1 (0.49) SMN1; SMN2MAPTALDH1A1POLBDRD2
SCHEMBL6678354 0.73 DRD2 (0.54) GFERMAPTALDH1A1LMNAPOLB
SCHEMBL6670427 0.73 ALDH1A1 (0.49) SMN1; SMN2GFERMAPTALDH1A1LMNA
SCHEMBL6682647 0.72 ALDH1A1 (0.47) SMN1; SMN2GFERMAPTALDH1A1POLB
SCHEMBL5745194 0.71 MCL1 (0.50) ALDH1A1GAA

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-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed