SCHEMBL8550459

SCHEMBL8550459

COC(=O)Cc1sc(SCc2cc(O)nc(C)n2)nc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 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
SCHEMBL8618272 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8551529 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8546589 0.78 NPY1R (0.33) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10691483 0.76 FFAR1 (0.58) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10691175 0.74 TSHR (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10689934 0.73 LMNA (0.40) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10685537 0.71 TSHR (0.39) ALDH1A1MAPTLMNAMAPK1POLB
SCHEMBL18256147 0.67 GAA (0.43) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL8549566 0.66 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8549735 0.66 MAPT (0.35) ALDH1A1MAPTLMNAPOLBKDM4E

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