SCHEMBL9203496

SCHEMBL9203496

O=C1c2ccccc2C2(c3ccncn3)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
PARP1 P09874 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 3/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP19A1 P11511 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 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 0.86 NPC1 (0.65) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL8284118 0.77 POLB (0.74) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL8283438 0.76 NPC1 (1.00) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL9196392 0.76 NPC1 (0.61) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL9197319 0.75 NPC1 (0.60) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL9738811 0.74 NPC1 (0.35) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9197464 0.74 NPC1 (0.35) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL8284116 0.74 NPC1 (0.70) NPC1POLBHTTSMN1; SMN2HTR2A
SCHEMBL9209781 0.73 NPC1 (0.34) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL8283436 0.73 NPC1 (0.82) NPC1POLBHTTSMN1; SMN2HTR2A

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