SCHEMBL9197319

SCHEMBL9197319

O=C1c2ccccc2C2(c3ccnc4ccccc34)NCCN12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 1/20 0.55
AR P10275 1/20 0.41
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
PTK2B Q14289 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 1/20 0.35
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11756226 0.81 POLB (0.67) NPC1POLBSMN1; SMN2HTTNCF1
SCHEMBL9204083 0.78 POLB (0.58) NPC1POLBSMN1; SMN2HTTMAPT
SCHEMBL8284104 0.78 NPC1 (0.65) NPC1POLBSMN1; SMN2HTTMAPT
SCHEMBL9196211 0.77 POLB (0.61) NPC1POLBSMN1; SMN2HTTMAPT
SCHEMBL8284116 0.76 NPC1 (0.70) NPC1POLBSMN1; SMN2HTTMAPT
SCHEMBL9195829 0.76 NPC1 (0.62) NPC1POLBSMN1; SMN2HTTMAPT
SCHEMBL9284324 0.76 POLB (0.62) NPC1POLBSMN1; SMN2HTTMAPT
SCHEMBL8283438 0.75 NPC1 (1.00) NPC1POLBSMN1; SMN2HTTMAPT
SCHEMBL9196392 0.75 NPC1 (0.61) NPC1POLBSMN1; SMN2HTTMAPT
SCHEMBL9200324 0.75 NPC1 (0.38) NPC1POLBSMN1; SMN2ARADRB2

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