SCHEMBL4724306

SCHEMBL4724306

NCc1ccc(-c2csc(NC(=O)C3CCCN3C(=O)O)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 8/20 0.55
CNR2 P34972 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 2/20 0.45
ELOVL1 Q9BW60 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4723829 0.87 CNR2 (0.68) KCNQ1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL3144602 0.86 KCNQ1 (0.55) KCNQ1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL13524280 0.86 KCNQ1 (0.55) KCNQ1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL13256798 0.83 KCNQ1 (0.65) KCNQ1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL2575773 0.80 KDM4E (0.66) SMN1; SMN2LMNAMAPTALDH1A1HSD17B10
SCHEMBL7474949 0.80 TRPV1 (0.50) KCNQ1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL7474942 0.80 TRPV1 (0.50) KCNQ1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL19837795 0.79 MEN1 (0.61) KCNQ1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL3140343 0.78 KCNQ1 (0.58) KCNQ1CNR2SMN1; SMN2LMNAMAPT
SCHEMBL13524070 0.78 KCNQ1 (0.58) KCNQ1CNR2SMN1; SMN2LMNAMAPT

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-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed