SCHEMBL9199731

SCHEMBL9199731

O=C1c2ccccc2C2(c3ccoc3)OCCN12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.34
CHRM5 P08912 5/20 0.33
PARP1 P09874 4/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9196127 0.84 NPC1 (0.51) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9280066 0.80 CHRM5 (0.46) NPC1POLBHTTSMN1; SMN2CHRM5
SCHEMBL9201037 0.80 RXFP1 (0.42) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9197570 0.78 PARP1 (0.43) NPC1POLBHTTSMN1; SMN2KMT2A
SCHEMBL9198807 0.78 CHRM5 (0.47) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9200274 0.77 POLB (0.42) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9201232 0.77 NPC1 (0.38) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9203731 0.76 HTT (0.47) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9195166 0.76 CYP2A6 (0.40) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9200337 0.76 NPSR1 (0.49) NPC1POLBHTTSMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575425-B1 USE OF OXAZOLO- 2,3-a]ISOINDOLE AND IMIDAZO 2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO 2,3-a]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1995-10-11 EP disclosed
EP-0575425-A1 USE OF OXAZOLO- 2,3-a]ISOINDOLE AND IMIDAZO 2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO 2,3-a]ISOINDOLE DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1993-12-29 EP disclosed
WO-1992016207-A1 USE OF OXAZOLO-[2,3-a]ISOINDOLE AND IMIDAZO[2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO[2,3-a]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed