SCHEMBL8305833

SCHEMBL8305833

Fc1ccc(Cc2ccsc2I)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
APP P05067 1/20 0.34
MAPT P10636 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
MPO P05164 1/20 0.33
MAPK8 P45983 1/20 0.33
AGXT P21549 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8304165 0.77 MAPT (0.40) PTGS1HPGDTP53RAB9ASMN1; SMN2
SCHEMBL28468260 0.77 PTGS1 (0.38) PTGS1HPGDTP53RAB9ASMN1; SMN2
SCHEMBL3102987 0.73 CHRNB2 (0.36) PTGS1HPGDTP53RAB9ASMN1; SMN2
SCHEMBL765509 0.72 MEN1 (0.43) PTGS1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL755262 0.70 KMT2A (0.46) PTGS1HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL24938229 0.69 TAAR1 (0.40) PTGS1HPGDTP53RAB9ASMN1; SMN2
SCHEMBL8309201 0.69 IDO1 (0.42) PTGS1HPGDIDO1LOXL2TAAR1
SCHEMBL1468357 0.68 IDO1 (0.58) IDO1LOXL2TAAR1ALDH1A1LMNA
SCHEMBL16561361 0.68 IDO1 (0.58) IDO1LOXL2TAAR1ALDH1A1LMNA
SCHEMBL2976063 0.68 PTGS1 (0.41) PTGS1HPGDTP53RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 EP disclosed
US-5616596-A Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0667855-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-23 EP disclosed
WO-1994011342-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-26 WO disclosed