SCHEMBL8304372

SCHEMBL8304372

Fc1ccc(Cc2ccsc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
LTA4H P09960 3/20 0.44
TAAR1 Q96RJ0 3/20 0.43
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
IDO1 P14902 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL9357255 0.83 TAAR1 (0.56) PTGS1PTGS2LTA4HTAAR1CYP17A1
SCHEMBL27968336 0.78 DRD2 (0.44) PTGS1PTGS2LTA4HTAAR1CYP17A1
SCHEMBL20751464 0.78 IDH1 (0.46) PTGS1PTGS2LTA4HTAAR1CYP17A1
SCHEMBL18723295 0.78 NPC1 (0.55) PTGS1PTGS2LTA4HTAAR1CYP17A1
SCHEMBL5652167 0.78 ESR1 (0.61) PTGS1PTGS2LTA4HTAAR1CYP17A1
SCHEMBL28180421 0.78 LTA4H (0.44) PTGS1PTGS2LTA4HTAAR1CYP17A1
SCHEMBL1680523 0.78 TAAR1 (0.54) PTGS1PTGS2LTA4HTAAR1CYP17A1
SCHEMBL16561361 0.78 IDO1 (0.58) TAAR1IDO1LOXL2ALDH1A1LMNA
SCHEMBL1468357 0.78 IDO1 (0.58) TAAR1IDO1LOXL2ALDH1A1LMNA
SCHEMBL27837269 0.78 LTA4H (0.47) PTGS1PTGS2LTA4HTAAR1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022263800-A1 PROCESS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2022-12-22 WO disclosed
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
US-5506261-A Substituted aryl- and heteroarylalkenyl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1996-04-09 US disclosed
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP disclosed
WO-1995030671-A1 SUBSTITUTED ARYL- AND HETEROARYLALKENYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-11-16 WO 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