SCHEMBL9201620

SCHEMBL9201620

O=C1c2ccccc2C2(c3nccc4ccccc34)OCCN12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
PRKDC P78527 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
CYP2A6 P11509 1/20 0.34
HTT P42858 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRM5 P08912 1/20 0.34
HTR2C P28335 4/20 0.33
HRH4 Q9H3N8 1/20 0.33
DRD3 P35462 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL9199522 0.82 SLC6A3 (0.40) NPC1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL9200324 0.80 NPC1 (0.38) NPC1SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL9198960 0.78 TDP1 (0.37) NPC1ALDH1A1POLBPRKDCPIK3CD
SCHEMBL9200491 0.78 APAF1 (0.39) NPC1SMN1; SMN2POLBPRKDCPIK3CD
SCHEMBL9196278 0.77 APAF1 (0.39) NPC1SMN1; SMN2RAB9APOLBPRKDC
SCHEMBL9204759 0.76 SLC6A3 (0.40) NPC1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL9201037 0.75 RXFP1 (0.42) NPC1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL9196127 0.74 NPC1 (0.51) NPC1SMN1; SMN2MAPTPOLBHTT
SCHEMBL9197464 0.73 NPC1 (0.35) NPC1SMN1; SMN2POLBHTTCHRM5
SCHEMBL9200379 0.73 NPC1 (0.35) NPC1SMN1; SMN2MAPTALDH1A1POLB

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