SCHEMBL9246002

SCHEMBL9246002

CCCCC[C@H]1CO[C@H](C#Cc2cnc(-c3ccc(F)c(F)c3)nc2)OC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GCGR P47871 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9246012 1.00 PDE5A (0.33) PDE5ANPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9243088 0.97 NPC1 (0.33) PDE5ANPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9243084 0.97 NPC1 (0.33) PDE5ANPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9246715 0.93 NPY5R (0.31)
SCHEMBL9246705 0.93 NPY5R (0.31)
SCHEMBL9247929 0.91 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9247935 0.91 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9245730 0.89 RAB9A (0.34) NPC1RAB9ASMN1; SMN2HSD17B10AXL
SCHEMBL9245736 0.89 RAB9A (0.34) NPC1RAB9ASMN1; SMN2HSD17B10AXL
SCHEMBL9243184 0.88 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HSD17B10

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-5447657-A Liquid crystal compounds HOFFMANN-LA ROCHE INC. (US) 1995-09-05 US disclosed