SCHEMBL9427692

SCHEMBL9427692

CSC1=NC(=O)/C(=C/c2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)S1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 8/20 0.60
▸ PTGS2 P35354 6/20 0.60
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 5/20 0.45
▸ GLA P06280 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MYC P01106 1/20 0.44
▸ MAX P61244 1/20 0.44
▸ ALOX5 P09917 2/20 0.39
▸ MEN1 O00255 4/20 0.31
▸ MITF O75030 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL9427697 1.00 PTGS1 (0.60) PTGS1PTGS2ALDH1A1MAPTGAA
SCHEMBL9598502 0.79 MYC (0.56) PTGS1PTGS2ALDH1A1MAPTGAA
SCHEMBL7701811 0.75 PTGS2 (1.00) PTGS1PTGS2ALDH1A1MAPTGAA
SCHEMBL9427916 0.72 PTGS1 (0.55) PTGS1PTGS2MAPTGAAPOLB
SCHEMBL9427909 0.72 PTGS1 (0.55) PTGS1PTGS2MAPTGAAPOLB
SCHEMBL9428429 0.70 PTGS2 (0.56) PTGS2ALDH1A1MAPTGAAKMT2A
SCHEMBL9476222 0.70 MRE11 (0.47) PTGS1PTGS2KMT2APOLBMEN1
SCHEMBL9428425 0.70 PTGS2 (0.56) PTGS2ALDH1A1MAPTGAAKMT2A
SCHEMBL9427610 0.70 MRE11 (0.47) PTGS1PTGS2KMT2APOLBMEN1
SCHEMBL9429104 0.69 NAT1 (0.51) ALDH1A1MAPTKMT2AMEN1LMNA

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
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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