SCHEMBL3939737

SCHEMBL3939737

Cc1nc(N([C]=O)C2CCC2)cs1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL3939777 0.80 HPGD (0.30)
SCHEMBL18674674 0.64
SCHEMBL9057205 0.64 G6PC1 (0.39) SMN1; SMN2MAPK1
SCHEMBL7974741 0.62 ALDH1A1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL5708677 0.62 RAB9A (0.44) NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL1118960 0.59
SCHEMBL28937389 0.59 RAB9A (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL21610736 0.59 RAB9A (0.44) NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL14855591 0.59 MEN1 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL14855771 0.57 MEN1 (0.44) NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed