SCHEMBL9817294

SCHEMBL9817294

CCc1cc(C(=O)Nc2c(C)cccc2C)no1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 3/20 0.51
MAPK1 P28482 2/20 0.51
ACR P10323 1/20 0.51
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
SCD O00767 1/20 0.48
SCD5 Q86SK9 1/20 0.48

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
SCHEMBL9133800 0.89 ACR (0.51) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL9136302 0.87 ACR (0.50) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL9817266 0.87 ACR (0.50) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL9134159 0.85 NPC1 (0.50) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL9132730 0.83 NPC1 (0.48) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL9510816 0.82 MAPT (0.63) SMN1; SMN2NPC1RAB9AMAPTACR
SCHEMBL9137610 0.78 MEN1 (0.60) NPC1RAB9AMAPK1POLB
SCHEMBL25534280 0.76 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL14069154 0.75 THRB (0.56) SMN1; SMN2NPC1RAB9AMAPTTHRB
SCHEMBL21939043 0.75 THRB (0.56) SMN1; SMN2NPC1RAB9AMAPTTHRB

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-5059614-A NOVEL ISOXAZOLE AND ISOXAZOLINE COMPOUNDS WITH ANTICONVULSANT ACTIVITY PROCESS FOR THEIR PREPARATION AND THERAPEUTIC COMPOSITION CONTAINING THEM NOVAPHARME (FR) 1991-10-22 US disclosed