SCHEMBL9629574

SCHEMBL9629574

Cc1nc(O)c(-c2ccccc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 1.00
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
COMT P21964 1/20 0.45
NTRK1 P04629 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 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
SCHEMBL1954803 0.79 ALOX5 (0.66) ALOX5MEN1ALDH1A1GAAMAPT
SCHEMBL92933 0.79 ALOX5 (0.66) ALOX5PTGS1PTGS2COMTMEN1
SCHEMBL12335757 0.78 ALOX5 (0.61) ALOX5COMTNPC1ALDH1A1LMNA
SCHEMBL3138593 0.78 ALOX5 (0.80) ALOX5MEN1ALDH1A1KMT2A
SCHEMBL526264 0.78 PTGS2 (0.69) ALOX5PTGS1PTGS2COMTNTRK1
SCHEMBL9628717 0.77 ALOX5 (1.00) ALOX5MEN1MAPTKMT2A
SCHEMBL2091332 0.76 ALOX5 (0.61) ALOX5PTGS1PTGS2COMTNTRK1
SCHEMBL11964993 0.76 ALOX5 (0.61) ALOX5PTGS1PTGS2COMTMEN1
SCHEMBL18373459 0.76 ALOX5 (0.61) ALOX5PTGS1PTGS2COMTNTRK1
SCHEMBL80459 0.76 ALOX5 (0.61) ALOX5PTGS1PTGS2NTRK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124342-A Antiinflammatory, antiarthritic agents; antiallergens; skin disorders ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
EP-0457803-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1991-11-27 EP disclosed
WO-1990009801-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed
WO-1990009381-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-08-23 WO disclosed