SCHEMBL8545353

SCHEMBL8545353

Cc1nc(Sc2ccccn2)sc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
GFER P55789 2/20 0.45
ALDH1A1 P00352 4/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
FFAR1 O14842 2/20 0.38
PPARD Q03181 1/20 0.38
GCK P35557 3/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8549346 0.85 LMNA (0.53) KDM4EALDH1A1POLBLMNASMN1; SMN2
SCHEMBL4481950 0.82 PTGDR2 (0.42) KDM4EGFERALDH1A1PTGDR2POLB
SCHEMBL8591219 0.81 KDM5B (0.44) KDM4EALDH1A1PTGDR2SMN1; SMN2NPC1
SCHEMBL8591973 0.81 ECE1 (0.42) KDM4EGFERALDH1A1PTGDR2POLB
SCHEMBL8545303 0.80 KDM4E (0.43) KDM4EGFERALDH1A1PTGDR2POLB
SCHEMBL8551360 0.80 ALDH1A1 (0.46) KDM4EALDH1A1PTGDR2POLBHPGD
SCHEMBL8550241 0.79 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8543453 0.79 CYP1A2 (0.50) KDM4EALDH1A1PTGDR2POLBLMNA
SCHEMBL8546367 0.79 PPARD (0.46) ALDH1A1PTGDR2SMN1; SMN2FFAR1PPARD
SCHEMBL8544759 0.78 PPARD (0.41) KDM4EALDH1A1PTGDR2POLBKMT2A

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