SCHEMBL4357301

SCHEMBL4357301

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4nc(Br)ccc4O)CC2)O3)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.35
GPR119 Q8TDV5 5/20 0.34
USP30 Q70CQ3 2/20 0.34
LRRK2 Q5S007 1/20 0.33
FASN P49327 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 1/20 0.31
SLC9A1 P19634 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL4355702 0.87 PIK3CA (0.37) PIK3CAGPR119USP30LRRK2PTGS2
SCHEMBL4355152 0.83 CHRM2 (0.38) PIK3CAUSP30
SCHEMBL4353588 0.83 PIK3CA (0.43) PIK3CAGPR119USP30CYP3A4SLC9A1
SCHEMBL4347925 0.82 USP30 (0.40) PIK3CAGPR119USP30LRRK2PTGS2
SCHEMBL4356473 0.82 PTPN2 (0.43) PIK3CACYP3A4SLC9A1
SCHEMBL4349922 0.82 PTPN2 (0.43) PIK3CACYP3A4SLC9A1
SCHEMBL4537918 0.82 PTPN2 (0.43) PIK3CACYP3A4SLC9A1
SCHEMBL4347963 0.82 NPC1 (0.46) PIK3CAPTGS2
SCHEMBL4355488 0.82 ALDH1A1 (0.35) PIK3CAGPR119USP30FASNPTGS2
SCHEMBL4348569 0.81 GPR119 (0.39) PIK3CAGPR119USP30PTGS2

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
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