SCHEMBL4347963

SCHEMBL4347963

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccc5ccccc5c4)CC2)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
MGLL Q99685 1/20 0.40
PIK3CA P42336 3/20 0.40
DRD4 P21917 3/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL4349922 0.90 PTPN2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL4356473 0.90 PTPN2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL4537918 0.90 PTPN2 (0.43) CA12CA1CA2CA7CA9
SCHEMBL4353588 0.86 PIK3CA (0.43) PIK3CAATMLMNA
SCHEMBL13586033 0.85 LMNA (0.45) PIK3CALMNA
SCHEMBL4531447 0.85 PIK3CA (0.44) HPGDPIK3CAPTGS2
SCHEMBL4358302 0.85 PIK3CA (0.42) PIK3CAPTGS2
SCHEMBL4355152 0.84 CHRM2 (0.38) NPC1CA1CA2CA9MGLL
SCHEMBL4347838 0.84 NAMPT (0.44) CA12CA1CA2CA9PIK3CA
SCHEMBL4347925 0.84 USP30 (0.40) PIK3CAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed