SCHEMBL8549566

SCHEMBL8549566

CCOC(=O)Cc1sc(SCc2ccc(C(=O)OC)s2)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
TSHR P16473 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 3/20 0.36
SHMT2 P34897 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8547416 0.78 MAPT (0.41) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL10691483 0.74 FFAR1 (0.58) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8546335 0.74 HSD17B10 (0.44) ALDH1A1HSD17B10LMNAMAPTTRPM8
SCHEMBL8545180 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL8547337 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL8618272 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10SMN1; SMN2NPC1LMNA
SCHEMBL8551529 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10SMN1; SMN2NPC1LMNA
SCHEMBL8546712 0.72 L3MBTL1 (0.45) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL10692209 0.71 NPC1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8549517 0.71 ALDH1A1 (0.39) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A

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