SCHEMBL4353455

SCHEMBL4353455

CN1CCN(CCC(=O)N2CCC(C3OCc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc4O3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
BRD4 O60885 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
USP30 Q70CQ3 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LRRK2 Q5S007 1/20 0.34
PRCP P42785 1/20 0.34
PIK3CA P42336 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL4347874 0.87 KDM1A (0.41) KDM1AMAOAMAOBBRD4USP30
SCHEMBL4360375 0.85 KDM1A (0.39) KDM1AMAOAMAOBBRD4USP30
SCHEMBL4347925 0.84 USP30 (0.40) KDM1AMAOAMAOBBRD4USP30
SCHEMBL4531768 0.84 KDM1A (0.38) KDM1AMAOAMAOBUSP30PIK3CA
SCHEMBL4347838 0.81 NAMPT (0.44) HRH3CA1CA2CA9TP53
SCHEMBL4537918 0.80 PTPN2 (0.43) CA1CA2CA9ALDH1A1PIK3CA
SCHEMBL4349922 0.80 PTPN2 (0.43) CA1CA2CA9ALDH1A1PIK3CA
SCHEMBL4356473 0.80 PTPN2 (0.43) CA1CA2CA9ALDH1A1PIK3CA
SCHEMBL4354214 0.80 FKBP1A (0.42) TP53ALDH1A1MEN1KMT2A
SCHEMBL4529650 0.80 KMT2A (0.39) KDM1AMAOAMAOBUSP30KDM4E

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