SCHEMBL9199522

SCHEMBL9199522

O=C1c2ccccc2C2(c3cccc4ccccc34)OCCN12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.40
PRKDC P78527 4/20 0.39
POLB P06746 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MDM2 Q00987 1/20 0.36
APAF1 O14727 1/20 0.35
CDC25B P30305 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9204759 0.93 SLC6A3 (0.40) SLC6A3PRKDCPOLBPIK3CDPIK3CB
SCHEMBL9198960 0.92 TDP1 (0.37) SLC6A3PRKDCPOLBPIK3CDPIK3CB
SCHEMBL9200491 0.86 APAF1 (0.39) SLC6A3PRKDCPOLBPIK3CDPIK3CB
SCHEMBL9203404 0.86 PARP1 (0.41) PRKDCPOLBNPC1ALDH1A1TSHR
SCHEMBL9196278 0.85 APAF1 (0.39) PRKDCPOLBNPC1MEN1KMT2A
SCHEMBL9202762 0.85 AKR1C3 (0.35) SLC6A3PRKDCPIK3CDPIK3CBMEN1
SCHEMBL9203236 0.83 PARP1 (0.44) SLC6A3PRKDCPOLBKDM4EALDH1A1
SCHEMBL9201620 0.82 NPC1 (0.37) SLC6A3PRKDCPOLBPIK3CDPIK3CB
SCHEMBL9200324 0.81 NPC1 (0.38) POLBNPC1ALDH1A1HSD17B10MEN1
SCHEMBL9195793 0.81 BCHE (0.39) POLBNPC1MEN1KMT2AHTT

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 1 patent. 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