SCHEMBL9204083

SCHEMBL9204083

O=C1c2ccccc2C2(c3cccc4nc[nH]c34)NCCN12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
PARP1 P09874 8/20 0.33
ALOX15 P16050 2/20 0.32
PDPK1 O15530 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL9204077 0.81 NPC1 (0.58) POLBNPC1SMN1; SMN2HTTHTR2A
SCHEMBL9199612 0.79 NPC1 (0.61) POLBNPC1SMN1; SMN2HTTHTR2A
SCHEMBL9197319 0.78 NPC1 (0.60) POLBNPC1SMN1; SMN2HTTHTR2A
SCHEMBL9197598 0.77 RAF1 (0.36) POLBNPC1SMN1; SMN2HTTRAF1
SCHEMBL9214646 0.76 POLB (0.35) POLBNPC1SMN1; SMN2HTTRAF1
SCHEMBL9197443 0.75 NPC1 (0.60) POLBNPC1SMN1; SMN2HTTHTR2A
SCHEMBL11756226 0.75 POLB (0.67) POLBNPC1SMN1; SMN2HTTHTR2A
SCHEMBL8284116 0.75 NPC1 (0.70) POLBNPC1SMN1; SMN2HTTHTR2A
SCHEMBL8283438 0.74 NPC1 (1.00) POLBNPC1SMN1; SMN2HTTHTR2A
SCHEMBL8284104 0.74 NPC1 (0.65) POLBNPC1SMN1; SMN2HTTHTR2A

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