SCHEMBL4353473

SCHEMBL4353473

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccco4)CC2)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
BRD4 O60885 4/20 0.46
PKM P14618 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL4537918 0.86 PTPN2 (0.43) PTPN2PTPN1POLBNPSR1SMN1; SMN2
SCHEMBL4356473 0.86 PTPN2 (0.43) PTPN2PTPN1POLBNPSR1SMN1; SMN2
SCHEMBL4349922 0.86 PTPN2 (0.43) PTPN2PTPN1POLBNPSR1SMN1; SMN2
SCHEMBL4347925 0.85 USP30 (0.40) BRD4
SCHEMBL4355152 0.84 CHRM2 (0.38) PKMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4534568 0.84 CA12 (0.39) BRD4CA12CA1CA2CA7
SCHEMBL4353588 0.84 PIK3CA (0.43) LMNA
SCHEMBL4356151 0.83 GAA (0.42) POLBSMN1; SMN2GAA
SCHEMBL4347963 0.83 NPC1 (0.46) TSHRALDH1A1LMNACA12CA1
SCHEMBL4347874 0.83 KDM1A (0.41) BRD4MEN1KMT2A

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 claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed