SCHEMBL3580573

SCHEMBL3580573

C[C@H](C(N)=O)n1c(C(N)=O)cc2[c]cccc2c1=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 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
SCHEMBL3589089 0.85 NPC1 (0.30) NPC1
SCHEMBL3345878 0.79 EGFR (0.37) NPC1GAAHPGDSMN1; SMN2LMNA
SCHEMBL3576486 0.77 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL3347472 0.72 NPC1 (0.36) NPC1HPGD
SCHEMBL3584822 0.72 PIK3CA (0.38) NPC1
SCHEMBL4994314 0.71 PLA2G10 (0.45) HPGDRAB9ASMN1; SMN2LMNASRC
SCHEMBL2799169 0.67 SLC9A1 (0.43) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL3582637 0.66 NPC1 (0.34) NPC1
SCHEMBL3586201 0.64 SLC9A1 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL27984706 0.64 POLB (0.47) HPGDSMN1; SMN2LMNAHTTEGFR

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
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed