SCHEMBL14744211

SCHEMBL14744211

O=S(=O)(Oc1ccccc1N1CCCCC1)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 4/20 0.45
KDM4E B2RXH2 1/20 0.45
DRD2 P14416 2/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
PKM P14618 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
GFER P55789 1/20 0.43
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 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
SCHEMBL2198567 0.85 MAPT (0.53) L3MBTL1MAPTMEN1KMT2ANPSR1
SCHEMBL27671029 0.83 L3MBTL1 (0.47) L3MBTL1MAPTMEN1KMT2ANPSR1
SCHEMBL4249931 0.78 GPR119 (0.47) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL30718973 0.76 L3MBTL1 (0.41) L3MBTL1MAPTMAPK1MEN1KMT2A
SCHEMBL1712875 0.76 DRD2 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22668889 0.74 MAPT (0.54) L3MBTL1MAPTMAPK1GAAKDM4E
SCHEMBL28132995 0.73 LMNA (0.42) L3MBTL1MAPK1MEN1KMT2AGAA
SCHEMBL7023211 0.71 DRD2 (0.42) MAPTKMT2AKDM4EDRD2DRD1
SCHEMBL2784883 0.71 DRD2 (0.45) MAPK1DRD2DRD1DRD4DRD5
SCHEMBL31239122 0.71 DRD2 (0.42) L3MBTL1MAPTMEN1KMT2AGAA

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-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
CN-1067057-C Serotonin 5-HT1A and dopamin D2 receptor ligands LUNDBECK & CO AS H (DK) 2001-06-13 CN disclosed
CN-1154107-A 5-hydroxytryptamine 5-HT1AAnd dopamine D2Receptor ligands LUNDBECK & CO AS H (DK) 1997-07-09 CN disclosed