SCHEMBL4349641

SCHEMBL4349641

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccc(CN5CCOCC5)cc4)CC2)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.44
PIK3CA P42336 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
STAT3 P40763 1/20 0.40
ALDH1A1 P00352 2/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39

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 0.85 PTPN2 (0.43) LMNAPIK3CATSHRSMN1; SMN2ALDH1A1
SCHEMBL4349922 0.85 PTPN2 (0.43) LMNAPIK3CATSHRSMN1; SMN2ALDH1A1
SCHEMBL4537918 0.85 PTPN2 (0.43) LMNAPIK3CATSHRSMN1; SMN2ALDH1A1
SCHEMBL4353588 0.84 PIK3CA (0.43) LMNAPIK3CACYP2C9
SCHEMBL4347838 0.84 NAMPT (0.44) HRH3LMNAPIK3CASMN1; SMN2JAK2
SCHEMBL4358302 0.82 PIK3CA (0.42) HRH3PIK3CASMN1; SMN2
SCHEMBL4347963 0.81 NPC1 (0.46) LMNAHPGDPIK3CATSHRALDH1A1
SCHEMBL4355710 0.81 KMT2A (0.47) HRH3LMNAGAAHPGDSMN1; SMN2
SCHEMBL4533028 0.81 HPGD (0.41) HRH3HPGDPIK3CAALDH1A1JAK2
SCHEMBL4347925 0.80 USP30 (0.40) PIK3CA

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