SCHEMBL9428035

SCHEMBL9428035

CC(C)(C)c1nc(C=C2SC(=S)N(N)C2=O)nc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 2/20 0.52
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALPG P10696 1/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ HSD17B3 P37058 1/20 0.31
▸ CISD1 Q9NZ45 2/20 0.31
▸ MAOA P21397 1/20 0.31

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
SCHEMBL9428029 1.00 NAT1 (0.52) NAT1MEN1KMT2AMAPTALDH1A1
SCHEMBL9429106 0.85 NAT1 (0.51) NAT1MEN1KMT2AMAPTALDH1A1
SCHEMBL9429104 0.85 NAT1 (0.51) NAT1MEN1KMT2AMAPTALDH1A1
SCHEMBL9427958 0.82 MAPT (0.39) NAT1MEN1KMT2AMAPTALDH1A1
SCHEMBL9427963 0.82 MAPT (0.39) NAT1MEN1KMT2AMAPTALDH1A1
SCHEMBL7702499 0.74 NAT1 (0.70) NAT1MEN1KMT2AALDH1A1PTGS1
SCHEMBL9428425 0.73 PTGS2 (0.56) NAT1MEN1KMT2AMAPTALDH1A1
SCHEMBL9428429 0.73 PTGS2 (0.56) NAT1MEN1KMT2AMAPTALDH1A1
SCHEMBL9427909 0.70 PTGS1 (0.55) NAT1MAPTPOLBRECQLL3MBTL1
SCHEMBL9427916 0.70 PTGS1 (0.55) NAT1MAPTPOLBRECQLL3MBTL1

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-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
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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