SCHEMBL4535480

SCHEMBL4535480

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4cnccn4)CC2)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PIK3CA P42336 2/20 0.39
GPR119 Q8TDV5 4/20 0.39
USP2 O75604 6/20 0.37
CYP1A2 P05177 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CYP2C19 P33261 3/20 0.37
MAPK1 P28482 3/20 0.37
CYP3A4 P08684 5/20 0.37
TSHR P16473 3/20 0.37
CYP2C9 P11712 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
USP30 Q70CQ3 1/20 0.36
NAMPT P43490 1/20 0.36
GAA P10253 1/20 0.35
HIF1A Q16665 2/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL4356151 0.89 GAA (0.42) PIK3CAGPR119SMN1; SMN2CYP2C19CYP2C9
SCHEMBL4353588 0.87 PIK3CA (0.43) LMNAPIK3CAGPR119CYP3A4CYP2C9
SCHEMBL4531447 0.84 PIK3CA (0.44) PIK3CAGPR119CYP3A4USP30NAMPT
SCHEMBL4347925 0.83 USP30 (0.40) PIK3CAGPR119USP30
SCHEMBL4355702 0.83 PIK3CA (0.37) PIK3CAGPR119USP30CYP11B2
SCHEMBL4353423 0.83 PIK3CA (0.38) PIK3CAGPR119USP30
SCHEMBL4537918 0.83 PTPN2 (0.43) LMNAPIK3CASMN1; SMN2CYP2C19CYP3A4
SCHEMBL4349922 0.83 PTPN2 (0.43) LMNAPIK3CASMN1; SMN2CYP2C19CYP3A4
SCHEMBL4356473 0.83 PTPN2 (0.43) LMNAPIK3CASMN1; SMN2CYP2C19CYP3A4
SCHEMBL4348569 0.82 GPR119 (0.39) PIK3CAGPR119USP30CYP11B2

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