SCHEMBL4529650

SCHEMBL4529650

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)Cn4cnnn4)CC2)O3)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GPR119 Q8TDV5 5/20 0.34
USP30 Q70CQ3 1/20 0.34
PIK3CA P42336 2/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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 0.86 KDM1A (0.41) KMT2AMEN1KDM1AMAOAMAOB
SCHEMBL4360375 0.82 KDM1A (0.39) KMT2AMEN1KDM1AMAOAMAOB
SCHEMBL4347925 0.82 USP30 (0.40) KDM1AMAOAMAOBGPR119USP30
SCHEMBL4531768 0.81 KDM1A (0.38) KMT2AMEN1KDM1AMAOAMAOB
SCHEMBL4353455 0.80 KDM1A (0.43) KMT2AMEN1KDM1AMAOAMAOB
SCHEMBL4356489 0.79 ALDH1A1 (0.43) KMT2AALDH1A1USP30
SCHEMBL4353588 0.79 PIK3CA (0.43) GPR119USP30PIK3CA
SCHEMBL4537918 0.78 PTPN2 (0.43) POLBALDH1A1PIK3CA
SCHEMBL4349922 0.78 PTPN2 (0.43) POLBALDH1A1PIK3CA
SCHEMBL4356473 0.78 PTPN2 (0.43) POLBALDH1A1PIK3CA

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