SCHEMBL4353588

SCHEMBL4353588

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccncc4)CC2)O3)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.43
CYP3A4 P08684 1/20 0.39
SLC9A1 P19634 1/20 0.39
ATM Q13315 1/20 0.38
CYP2C9 P11712 1/20 0.38
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
USP30 Q70CQ3 1/20 0.37
ROCK2 O75116 1/20 0.37
P2RX7 Q99572 3/20 0.37
SLC6A9 P48067 1/20 0.37
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4356473 0.92 PTPN2 (0.43) PIK3CACYP3A4SLC9A1LMNA
SCHEMBL4537918 0.92 PTPN2 (0.43) PIK3CACYP3A4SLC9A1LMNA
SCHEMBL4349922 0.92 PTPN2 (0.43) PIK3CACYP3A4SLC9A1LMNA
SCHEMBL4531447 0.88 PIK3CA (0.44) PIK3CACYP3A4SLC9A1GPR119USP30
SCHEMBL4535480 0.87 LMNA (0.42) PIK3CACYP3A4CYP2C9GPR119USP30
SCHEMBL4347838 0.87 NAMPT (0.44) PIK3CACYP3A4SLC9A1GPR119NAMPT
SCHEMBL4347925 0.87 USP30 (0.40) PIK3CAEPHX2GPR119USP30
SCHEMBL4358302 0.86 PIK3CA (0.42) PIK3CACYP3A4SLC9A1GPR119P2RX7
SCHEMBL4347963 0.86 NPC1 (0.46) PIK3CAATMLMNA
SCHEMBL4356151 0.86 GAA (0.42) PIK3CASLC9A1CYP2C9EPHX2GPR119

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