SCHEMBL3665269

SCHEMBL3665269

CS(=O)(=O)OC1CCCN(c2nc3ccc(Br)cc3s2)C1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.47
NPC1 O15118 9/20 0.47
MAPT P10636 5/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.41
STAT3 P40763 1/20 0.38
TP53 P04637 4/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
APP P05067 1/20 0.34
MITF O75030 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL1093545 0.78 RAB9A (0.58) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1095968 0.78 RAB9A (0.58) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1093546 0.78 RAB9A (0.58) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL3665609 0.76 NR1H2 (0.41) RAB9ANPC1MAPTAPPNR1H2
SCHEMBL1096571 0.75 RAB9A (0.54) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1096574 0.75 RAB9A (0.54) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1095201 0.74 RAB9A (0.55) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL10247662 0.67 RAB9A (0.69) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1096068 0.65 RAB9A (0.69) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1096844 0.65 RAB9A (0.69) RAB9ANPC1MAPTHTTALDH1A1

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-2237779-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2010-10-13 EP disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed