SCHEMBL7589845

SCHEMBL7589845

O=S(=O)(NCc1ccccc1Cl)c1cc([S])cc([AsH2])c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.45
MCL1 Q07820 1/20 0.44
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7595710 0.86 POLB (0.53) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL7589856 0.85 POLB (0.52) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL7595713 0.85 POLB (0.52) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL6094935 0.84 POLB (0.53) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL6257594 0.80 POLB (0.52) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL29660878 0.78 POLB (0.70) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL4662993 0.78 POLB (0.70) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL6092274 0.73 POLB (0.53) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL12793683 0.73 POLB (0.72) POLBALDH1A1HPGDMAPK1HTR2C
SCHEMBL5960083 0.73 KMT2A (0.72) POLBALDH1A1HPGDMAPK1HTR2C

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
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed