SCHEMBL9427909

SCHEMBL9427909

CC(C)(C)c1nc(/C=C2\SC(=O)NC2=O)nc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ NAT1 P18440 2/20 0.48
▸ AKR1B1 P15121 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ IGF1R P08069 3/20 0.45
▸ CISD1 Q9NZ45 3/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ PIM1 P11309 4/20 0.43
▸ PIM2 Q9P1W9 4/20 0.43
▸ PIM3 Q86V86 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL9427916 1.00 PTGS1 (0.55) PTGS1PTGS2NAT1AKR1B1HPGD
SCHEMBL9427610 0.86 MRE11 (0.47) PTGS1PTGS2PIM1POLB
SCHEMBL9476222 0.86 MRE11 (0.47) PTGS1PTGS2PIM1POLB
SCHEMBL9428429 0.86 PTGS2 (0.56) PTGS2NAT1CISD1MAOAMAOB
SCHEMBL9428425 0.86 PTGS2 (0.56) PTGS2NAT1CISD1MAOAMAOB
SCHEMBL9477606 0.82 CSNK2A2 (0.39) PTGS1PTGS2NAT1AKR1B1HPGD
SCHEMBL15101830 0.74 PIM1 (0.54) NAT1AKR1B1HPGDGSK3BTDP1
SCHEMBL9427692 0.72 PTGS1 (0.60) PTGS1PTGS2HPGDRAB9APOLB
SCHEMBL8962138 0.71 PTGS2 (1.00) PTGS1PTGS2NAT1AKR1B1HPGD
SCHEMBL3667216 0.71 PTGS2 (1.00) PTGS1PTGS2NAT1AKR1B1HPGD

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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