SCHEMBL8322912

SCHEMBL8322912

Cc1ccc(C=S)c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 3/20 0.46
PTGER1 P34995 3/20 0.45
PTGER4 P35408 3/20 0.45
PTGER3 P43115 3/20 0.45
PTGER2 P43116 3/20 0.45
MRGPRX4 Q96LA9 4/20 0.43
HDAC8 Q9BY41 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL8154573 0.88 PTGER1 (0.52) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL3035265 0.84 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL20359857 0.84 MAPT (0.49) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL19999733 0.83 CCNB2 (0.48) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL7229340 0.81 CDK4 (0.68) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL19999728 0.81 HDAC8 (0.48) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL7229336 0.81 CDK4 (0.68) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL686650 0.80 MAPT (0.58) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL14228414 0.78 MAPT (0.56) MAPTMAPK1TDP1L3MBTL1STAT3
SCHEMBL28505728 0.77 PTGER1 (0.43) MAPTMAPK1TDP1L3MBTL1STAT3

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-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed