SCHEMBL7532432

SCHEMBL7532432

O=C1C=CC(=O)c2sc(-c3ccccc3)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
KDM4E B2RXH2 3/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5 P09917 3/20 0.43
CDC7 O00311 3/20 0.43
DBF4 Q9UBU7 3/20 0.43
MAPT P10636 1/20 0.43
PTGS2 P35354 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
COMT P21964 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 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
SCHEMBL8353356 0.83 COMT (0.47) IDO1TDO2KDM4EALDH1A1MEN1
SCHEMBL8350677 0.83 ALDH1A1 (0.47) IDO1TDO2KDM4EPTGDR2POLB
SCHEMBL6008193 0.78 PTGS2 (0.44) IDO1TDO2KDM4EALDH1A1CDC7
SCHEMBL9768642 0.75 ALDH1A1 (0.62) KDM4EPTGDR2POLBALDH1A1ALOX5
SCHEMBL7808047 0.74 IDO1 (0.79) IDO1TDO2KDM4EPTGDR2POLB
SCHEMBL16011062 0.73 ALOX5 (0.50) KDM4EPTGDR2POLBALDH1A1ALOX5
SCHEMBL22732884 0.72 IDO1 (0.63) IDO1TDO2KDM4EPTGDR2POLB
SCHEMBL12854108 0.70 IDO1 (0.49) IDO1TDO2KDM4EPTGDR2POLB
SCHEMBL14832763 0.68 ALOX5 (0.41) IDO1TDO2KDM4EPTGDR2POLB
SCHEMBL21670773 0.68 PTGS2 (0.56) KDM4EPTGDR2ALDH1A1ALOX5CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002022122-A1 USE OF COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2002-03-21 WO claimed
WO-2002022122-A1 USE OF COMPOUNDS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2002-03-21 WO disclosed
WO-1999032115-A1 MODULATORS OF RYANODINE RECEPTORS COMPRISING 2-(ARYL)-4,7-DIOXOBENZOTHIAZOLES AND ANALOGUES THEREOF ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 1999-07-01 WO disclosed