SCHEMBL3397691

SCHEMBL3397691

Cn1c(CC(F)(F)F)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.55
NPC1 O15118 9/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
USP2 O75604 1/20 0.54
MAPT P10636 2/20 0.53
PKM P14618 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PDE10A Q9Y233 2/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL4404019 0.84 MEN1 (0.63) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL6481322 0.84 NPC1 (0.63) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL1059693 0.80 RAB9A (0.64) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL23638517 0.79 NPC1 (0.46) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL29087538 0.79 MAPT (0.56) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL30037937 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL757031 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL15800270 0.78 RAB9A (0.60) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL19214776 0.78 NPC1 (0.54) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL30699261 0.78 MAPT (0.43) RAB9ANPC1SMN1; SMN2LMNAGAA

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
EP-2246334-A1 MEDICINAL COMPOSITION FOR INHIBITING AMYLOID- PROTEIN DEPOSITION Sumitomo Chemical Company, Limited (JP) 2010-11-03 EP disclosed