SCHEMBL9427963

SCHEMBL9427963

CN(C)N1C(=O)C(=Cc2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)SC1=S

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MEN1 O00255 3/20 0.35
▸ ALPI P09923 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NAT1 P18440 2/20 0.34
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ALPG P10696 1/20 0.31
▸ HSD17B3 P37058 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL9427958 1.00 MAPT (0.39) MAPTKMT2APOLBALDH1A1TDP1
SCHEMBL9429104 0.83 NAT1 (0.51) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL9429106 0.83 NAT1 (0.51) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL9428029 0.82 NAT1 (0.52) MAPTKMT2APOLBALDH1A1TDP1
SCHEMBL9428035 0.82 NAT1 (0.52) MAPTKMT2APOLBALDH1A1TDP1
SCHEMBL8534268 0.75 PTGS2 (0.55) KMT2AALDH1A1MEN1NAT1PTGS1
SCHEMBL8534273 0.75 PTGS2 (0.55) KMT2AALDH1A1MEN1NAT1PTGS1
SCHEMBL8992131 0.71 PTGS2 (0.48) MAPTKMT2APOLBALDH1A1TDP1
SCHEMBL8895623 0.71 PTGS2 (0.48) MAPTKMT2APOLBALDH1A1TDP1
SCHEMBL9428425 0.71 PTGS2 (0.56) MAPTKMT2APOLBALDH1A1LMNA

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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