SCHEMBL7375386

SCHEMBL7375386

O=C(O)c1ccccc1CCSc1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FOLH1 Q04609 1/20 0.40
GPR35 Q9HC97 1/20 0.38
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
KLKB1 P03952 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN5 P54829 1/20 0.35
PTGES O14684 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 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
SCHEMBL6955598 0.88 SMN1; SMN2 (0.47) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL9039893 0.88 LMNA (0.43) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6960622 0.84 SMN1; SMN2 (0.49) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6961275 0.82 KDM4E (0.44) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6956056 0.80 TNKS (0.47) SMN1; SMN2POLBL3MBTL1NPC1RAB9A
SCHEMBL6954657 0.79 SMN1; SMN2 (0.44) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6956148 0.78 PTGES (0.45) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6963458 0.78 SMN1; SMN2 (0.46) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6959678 0.77 SMN1; SMN2 (0.42) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1
SCHEMBL6964030 0.77 SMN1; SMN2 (0.45) SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed