SCHEMBL8056967

SCHEMBL8056967

c1ccc(-c2nc(N3CCOCC3)sc2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.72
ALDH1A1 P00352 6/20 0.67
ALOX5 P09917 2/20 0.66
GAA P10253 1/20 0.62
HPGD P15428 1/20 0.62
PTGS2 P35354 2/20 0.59
HTT P42858 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 3/20 0.56
CETP P11597 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50

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
SCHEMBL17009411 0.84 AR (1.00) ARALDH1A1ALOX5GAAHPGD
SCHEMBL9548136 0.83 KMT2A (0.74) ARALDH1A1GAAHPGDPTGS2
SCHEMBL8823050 0.83 ALDH1A1 (0.79) ARALDH1A1ALOX5GAAHPGD
SCHEMBL5806903 0.80 AR (0.55) ARALDH1A1ALOX5GAAHPGD
SCHEMBL8419989 0.80 AR (0.65) ARALDH1A1ALOX5GAAHPGD
SCHEMBL17014756 0.80 AR (1.00) ARALDH1A1ALOX5GAAHPGD
SCHEMBL7062983 0.80 ALDH1A1 (1.00) ARALDH1A1ALOX5GAAHPGD
SCHEMBL12491446 0.79 AR (0.50) ARALDH1A1ALOX5GAAHPGD
SCHEMBL17014808 0.78 ALDH1A1 (0.71) ARALDH1A1ALOX5GAAHPGD
SCHEMBL27048230 0.77 ALDH1A1 (0.53) ARALDH1A1ALOX5PTGS2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592664-B1 DERIVATIVES OF DIPHENYLTHIAZOLE WITH ANTIINFLAMMATORY ACTIVITY HISAMITSU PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-5449783-A Antiinflammatory, analgesic, antiallergic, diuretic agents, anticoagulants HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1995-09-12 US disclosed
EP-0592664-A1 NOVEL DIPHENYLTHYAZOLE DERIVATIVE Hisamitsu Pharmaceutical Co., Inc. (JP) 1994-04-20 EP disclosed