SCHEMBL5046916

SCHEMBL5046916

CCOC(=O)c1c[nH]c2c(NS(=O)(=O)c3cccs3)cc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 5/20 0.46
PLK1 P53350 1/20 0.45
CNKSR1 Q969H4 3/20 0.43
AKT1 P31749 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
CCR2 P41597 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
SCHEMBL1653068 0.81 MEN1 (0.46) MAPTMEN1KMT2ANPSR1HIF1A
SCHEMBL3253926 0.73 BRD4 (0.54) MAPTMEN1KMT2ANPSR1HIF1A
SCHEMBL1653275 0.73 HIF1A (0.51) MAPTMEN1KMT2ANPSR1HIF1A
SCHEMBL5046915 0.73 ALDH1A1 (0.49) MAPTMEN1KMT2ANPSR1HIF1A
SCHEMBL7570349 0.72 ALDH1A1 (0.60) MAPTMEN1KMT2ANPSR1HIF1A
SCHEMBL1652707 0.72 CNKSR1 (0.47) MAPTMEN1KMT2ANPSR1HIF1A
SCHEMBL1653221 0.72 MEN1 (0.49) MAPTMEN1KMT2ANPSR1HIF1A
SCHEMBL2354908 0.72 MEN1 (0.53) MAPTMEN1KMT2ANPSR1HIF1A
SCHEMBL1653185 0.72 ALDH1A1 (0.44) MAPTMEN1KMT2ANPSR1HIF1A
SCHEMBL1653948 0.71 ALDH1A1 (0.52) MAPTMEN1KMT2ANPSR1HIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP disclosed