SCHEMBL3468490

SCHEMBL3468490

Fc1ccc(/C=N/Nc2ncnc3[nH]cnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.53
GSK3B P49841 4/20 0.53
RAB9A P51151 8/20 0.50
NPC1 O15118 6/20 0.50
GAA P10253 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 3/20 0.48
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
NR0B1 P51843 1/20 0.48
MAPK1 P28482 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
ATM Q13315 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
SCHEMBL3468495 1.00 GSK3A (0.53) GSK3AGSK3BRAB9ANPC1GAA
SCHEMBL3467058 0.86 NPC1 (0.67) GSK3AGSK3BRAB9ANPC1GAA
SCHEMBL3467060 0.86 NPC1 (0.67) GSK3AGSK3BRAB9ANPC1GAA
SCHEMBL3467761 0.86 RAB9A (0.56) GSK3AGSK3BRAB9ANPC1GAA
SCHEMBL3467763 0.86 RAB9A (0.56) GSK3AGSK3BRAB9ANPC1GAA
SCHEMBL14050056 0.83 NPC1 (0.50) GSK3AGSK3BRAB9ANPC1GAA
SCHEMBL14028472 0.83 RAB9A (0.50) GSK3AGSK3BRAB9ANPC1GAA
SCHEMBL8480872 0.81 RAB9A (0.53) GSK3AGSK3BRAB9ANPC1GAA
SCHEMBL13273145 0.79 SMN1; SMN2 (0.68) GSK3BRAB9ANPC1GAASMN1; SMN2
SCHEMBL3467469 0.77 RAB9A (0.51) GSK3AGSK3BRAB9ANPC1GAA

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
WO-2010074746-A1 METHODS OF USE FOR OPSIN BINDING LIGANDS BIKAM PHARMACEUTICALS, INC. (US) 2010-07-01 WO disclosed
WO-2010074746-A1 METHODS OF USE FOR OPSIN BINDING LIGANDS BIKAM PHARMACEUTICALS, INC. (US) 2010-07-01 WO disclosed