SCHEMBL8545155

SCHEMBL8545155

COc1cc(Sc2nc(C)c(CC(=O)O)s2)nc(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.37
PTGDR2 Q9Y5Y4 7/20 0.36
POLB P06746 2/20 0.35
CTSA P10619 1/20 0.34
PPARD Q03181 3/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8547177 0.88 TRPM8 (0.38) LMNATDP1MAPTPOLBKDM4E
SCHEMBL8548708 0.81 PTGDR2 (0.40) LMNAMAPTPTGDR2POLBPPARD
SCHEMBL8545353 0.71 KDM4E (0.45) LMNAMAPTPTGDR2POLBPPARD
SCHEMBL4481950 0.71 PTGDR2 (0.42) LMNATDP1MAPTPTGDR2POLB
SCHEMBL8591219 0.71 KDM5B (0.44) TDP1MAPTPTGDR2PPARDPPARG
SCHEMBL8548816 0.70 POLB (0.53) LMNAMAPTPOLBKDM4EALDH1A1
SCHEMBL10360134 0.70 PTGDR2 (0.39) LMNAMAPTPTGDR2POLBPPARD
SCHEMBL8591973 0.70 ECE1 (0.42) TDP1PTGDR2POLBKDM4EALDH1A1
SCHEMBL11588944 0.70 MAPT (0.43) LMNATDP1MAPTPTGDR2POLB
SCHEMBL46644 0.69 LMNA (0.40) LMNAMAPTPTGDR2POLBPPARD

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
EP-0714393-B1 THIAZOLES AS ANTIVIRAL PFIZER (US) 1998-09-23 EP disclosed
US-5789408-A Antiviral thiazoles PFIZER INC. (US) 1998-08-04 US disclosed
EP-0714393-A1 THIAZOLES AS ANTIVIRAL PFIZER INC. (US) 1996-06-05 EP disclosed
WO-1995005378-A1 ANTIVIRAL THIAZOLES PFIZER INC. (US) 1995-02-23 WO disclosed