SCHEMBL5804267

SCHEMBL5804267

COc1cccc(/C=N\N[C]=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.68
MAPT P10636 7/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
KDM4E B2RXH2 6/20 0.68
POLB P06746 4/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
HTT P42858 3/20 0.68
LMNA P02545 2/20 0.68
RECQL P46063 2/20 0.68
CA12 O43570 1/20 0.57
KMT2A Q03164 6/20 0.57
GAA P10253 6/20 0.57
MEN1 O00255 5/20 0.57
RAB9A P51151 4/20 0.57
PKM P14618 2/20 0.57
KLF5 Q13887 2/20 0.57
MITF O75030 1/20 0.57
PAX8 Q06710 1/20 0.57
TLR2 O60603 1/20 0.55
ERN1 O75460 1/20 0.55

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
SCHEMBL5804270 1.00 NPC1 (0.68) NPC1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL19936663 0.81 MAPT (0.70) NPC1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL5804271 0.81 MAPT (0.69) NPC1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL9458185 0.78 KDM4E (0.74) NPC1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL19519011 0.77 POLB (0.86) NPC1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL13617293 0.76 MAPT (0.86) NPC1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL683795 0.76 MAPT (0.86) NPC1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL6822725 0.76 CA12 (0.70) NPC1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL19089795 0.76 CA12 (0.70) NPC1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL17550790 0.76 CA12 (0.70) NPC1MAPTSMN1; SMN2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed