SCHEMBL9428429

SCHEMBL9428429

CC(C)(C)c1nc(C=C2SC(=S)NC2=O)nc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.56
▸ NAT1 P18440 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PIK3CG P48736 1/20 0.49
▸ CISD1 Q9NZ45 4/20 0.47
▸ PIM1 P11309 2/20 0.44
▸ PLA2G1B P04054 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ MYC P01106 1/20 0.44
▸ MAX P61244 1/20 0.44
▸ MAOA P21397 1/20 0.43

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
SCHEMBL9428425 1.00 PTGS2 (0.56) PTGS2NAT1ALDH1A1GAAMEN1
SCHEMBL9427909 0.86 PTGS1 (0.55) PTGS2NAT1GAAPOLBMAPT
SCHEMBL9427916 0.86 PTGS1 (0.55) PTGS2NAT1GAAPOLBMAPT
SCHEMBL9427610 0.83 MRE11 (0.47) PTGS2MEN1POLBKMT2APIM1
SCHEMBL9476222 0.83 MRE11 (0.47) PTGS2MEN1POLBKMT2APIM1
SCHEMBL14226374 0.76 ALDH1A1 (0.52) NAT1ALDH1A1GAAMEN1NPC1
SCHEMBL9429104 0.74 NAT1 (0.51) NAT1ALDH1A1MEN1LMNAMAPT
SCHEMBL9429106 0.74 NAT1 (0.51) NAT1ALDH1A1MEN1LMNAMAPT
SCHEMBL9428035 0.73 NAT1 (0.52) PTGS2NAT1ALDH1A1MEN1LMNA
SCHEMBL9428029 0.73 NAT1 (0.52) PTGS2NAT1ALDH1A1MEN1LMNA

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
US-5270319-A 5-hydroxy-2-pyrimidinylmethylene derivatives useful as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-12-14 — — US claimed
WO-1993005039-A1 5-HYDROXY-2-PYRIMIDINYLMETHYLENE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-18 — — WO claimed
US-5348957-A Gastrointestinal ulcer treatment WARNER-LAMBERT COMPANY (US) 1994-09-20 — — US disclosed
US-5270319-A 5-hydroxy-2-pyrimidinylmethylene derivatives useful as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-12-14 — — US disclosed
WO-1993005039-A1 5-HYDROXY-2-PYRIMIDINYLMETHYLENE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-18 — — WO disclosed
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