SCHEMBL9196392

SCHEMBL9196392

O=C1c2ccccc2C2(c3nccs3)NCCN12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HSD17B10 Q99714 1/20 0.35
OPRL1 P41146 1/20 0.34
PARP1 P09874 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
CHRM5 P08912 1/20 0.31
PGR P06401 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
USP2 O75604 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
SCHEMBL8284104 0.79 NPC1 (0.65) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL8284122 0.79 NPC1 (0.65) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL8283438 0.76 NPC1 (1.00) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL9203496 0.76 NPC1 (0.61) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL9199547 0.75 POLB (0.76) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL9197319 0.75 NPC1 (0.60) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL9216719 0.74 NPC1 (0.35) NPC1POLBHTTSMN1; SMN2HSD17B10
SCHEMBL8284118 0.74 POLB (0.74) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL9739760 0.74 OPRL1 (0.38) NPC1POLBHTTSMN1; SMN2HSD17B10
SCHEMBL9200379 0.74 NPC1 (0.35) NPC1POLBHTTSMN1; 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 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