SCHEMBL9214982

SCHEMBL9214982

Nc1ccccc1C12SCCN1C(=O)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PARP1 P09874 6/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TNF P01375 1/20 0.33
IL1B P01584 1/20 0.33
TBXA2R P21731 1/20 0.33
IKZF1 Q13422 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
IKZF3 Q9UKT9 1/20 0.33
USP2 O75604 1/20 0.33
CHRM5 P08912 3/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 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
SCHEMBL9207899 0.86 PARP1 (0.45) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9208739 0.83 POLB (0.41) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9213175 0.82 NPC1 (0.50) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9123045 0.82 NPC1 (0.50) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9222286 0.82 NPC1 (0.50) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL6362219 0.81 SLC6A3 (0.40) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL6362220 0.81 SLC6A3 (0.40) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9212625 0.80 PARP1 (0.46) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9221801 0.80 PARP1 (0.46) NPC1POLBHTTSMN1; SMN2PARP1
SCHEMBL9214959 0.80 NPC1 (0.40) NPC1POLBHTTSMN1; SMN2PARP1

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