SCHEMBL8548708

SCHEMBL8548708

COc1ccc(Sc2nc(C)c(CC(=O)O)s2)nn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.40
NNMT P40261 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 2/20 0.37
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8545256 0.87 TRPM8 (0.42) NNMTLMNAMAPTPOLBMEN1
SCHEMBL8545155 0.81 LMNA (0.41) PTGDR2LMNAMAPTPOLBPPARG
SCHEMBL8551360 0.76 ALDH1A1 (0.46) PTGDR2MAPTPOLBPPARGPPARD
SCHEMBL8545353 0.75 KDM4E (0.45) PTGDR2LMNAMAPTPOLBPPARD
SCHEMBL4481950 0.75 PTGDR2 (0.42) PTGDR2LMNAMAPTPOLBPPARD
SCHEMBL8591973 0.74 ECE1 (0.42) PTGDR2POLBKDM4EALDH1A1
SCHEMBL11588944 0.74 MAPT (0.43) PTGDR2LMNAMAPTPOLBKDM4E
SCHEMBL8550265 0.73 PPARD (0.49) PTGDR2PPARGPPARDPPARAKDM4E
SCHEMBL8591219 0.72 KDM5B (0.44) PTGDR2MAPTPPARGPPARDPPARA
SCHEMBL8543453 0.72 CYP1A2 (0.50) PTGDR2LMNAMAPTPOLBKDM4E

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