SCHEMBL9213786

SCHEMBL9213786

O=C1c2ccccc2C2(c3cc4ccccc4c4ccccc34)SCCN12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 4/20 0.34
CHRM5 P08912 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
CES1 P23141 1/20 0.31

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
SCHEMBL9215403 0.89 TDP1 (0.36) NPC1POLBPARP1MEN1KMT2A
SCHEMBL9217152 0.86 CES1 (0.38) NPC1POLBPARP1CHRM5MEN1
SCHEMBL6362220 0.86 SLC6A3 (0.40) NPC1POLBPARP1MEN1KMT2A
SCHEMBL6362219 0.86 SLC6A3 (0.40) NPC1POLBPARP1MEN1KMT2A
SCHEMBL9205832 0.81 MEN1 (0.36) NPC1POLBPARP1CHRM5MEN1
SCHEMBL9700348 0.79 CES1 (0.36) NPC1POLBPARP1CHRM5MEN1
SCHEMBL9216549 0.79 GAA (0.41) NPC1POLBMEN1KMT2ARAB9A
SCHEMBL9212976 0.79 SLC6A2 (0.42) NPC1POLBCHRM5MEN1KMT2A
SCHEMBL9195253 0.79 SLC6A3 (0.38) NPC1POLBPARP1MEN1KMT2A
SCHEMBL9701779 0.78 NPC1 (0.34) NPC1POLBPARP1CHRM5MEN1

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-0569457-B1 USE OF THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO- [2,3-A]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1995-06-14 EP disclosed
EP-0569457-A1 USE OF THIAZOLO- 2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO- 2,3-A]ISOINDOLE DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1993-11-18 EP disclosed
WO-1992013863-A1 USE OF THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO-[2,3-A]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1992-08-20 WO disclosed