SCHEMBL1728248

SCHEMBL1728248

O=C(Nc1cccc(Cl)c1)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
MAPT P10636 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 1/20 0.46
PTBP1 P26599 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNA5 P22460 1/20 0.42

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
SCHEMBL1727700 0.89 KMT2A (0.50) ADORA3ADORA2AADORA2BADORA1NPC1
SCHEMBL1727750 0.88 KMT2A (0.47) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL1727751 0.88 PARP1 (0.43) MEN1KMT2AKCNK3KCNK9MAPT
SCHEMBL1726839 0.86 RAB9A (0.55) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL1727843 0.85 PHGDH (0.42) MEN1KMT2AKCNK3KCNK9
SCHEMBL1727755 0.83 NAMPT (0.53) RAB9AMEN1KMT2ACA12CA9
SCHEMBL1727677 0.82 NAMPT (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1728014 0.81 NPC1 (0.45) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1727825 0.80 RAB9A (0.52) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL1727761 0.79 KMT2A (0.41) MEN1KMT2ALMNASMN1; SMN2ALDH1A1

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
EP-2403499-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL Stemsynergy Therapeutics, Inc (US) 2012-01-11 EP disclosed
WO-2010101964-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS, INC (US) 2010-09-10 WO disclosed