SCHEMBL8550931

SCHEMBL8550931

CCOC(=O)c1nc(C)nc(Cl)c1S

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CYP1A2 P05177 2/20 0.41
TARBP2 Q15633 2/20 0.40
GLP1R P43220 1/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 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
SCHEMBL2743309 0.83 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1MAPK1NPC1
SCHEMBL9423135 0.80 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1MAPK1NPC1
SCHEMBL1705589 0.80 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1MAPK1NPC1
SCHEMBL4765941 0.78 MAPT (0.40) ALDH1A1MAPTNPSR1MAPK1NPC1
SCHEMBL5691129 0.77 MAPT (0.43) ALDH1A1MAPTNPSR1MAPK1NPC1
SCHEMBL5909552 0.77 TDP1 (0.37) ALDH1A1MAPTMAPK1HSD17B10KDM4E
SCHEMBL10004608 0.77 SMN1; SMN2 (0.47) ALDH1A1MAPTNPSR1NPC1TP53
SCHEMBL11584237 0.77 KDM4E (0.42) ALDH1A1MAPTNPSR1NPC1TP53
SCHEMBL9590986 0.76 MAPT (0.45) ALDH1A1MAPTNPSR1MAPK1NPC1
SCHEMBL31087409 0.76 MAPT (0.43) ALDH1A1MAPTNPSR1MAPK1NPC1

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