SCHEMBL9206027

SCHEMBL9206027

O=C1c2ccccc2C2(c3cccc4c3[nH]c3ccccc34)SCCN12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 9/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
KIF11 P52732 2/20 0.35
CDK4 P11802 3/20 0.34
CCND1 P24385 3/20 0.34
CDK6 Q00534 2/20 0.34
BCHE P06276 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PRKCA P17252 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL9216549 0.81 GAA (0.41) NPC1POLBCDK4CCND1KDM4E
SCHEMBL6362219 0.80 SLC6A3 (0.40) NPC1POLBKDM4EALDH1A1HTT
SCHEMBL6362220 0.80 SLC6A3 (0.40) NPC1POLBKDM4EALDH1A1HTT
SCHEMBL9199100 0.80 PARP1 (0.36) NPC1POLBCDK4CCND1CDK5
SCHEMBL9205832 0.78 MEN1 (0.36) NPC1POLBALDH1A1HTTSMN1; SMN2
SCHEMBL9217014 0.78 NPC1 (0.36) NPC1POLBBCHEHTTSMN1; SMN2
SCHEMBL9215403 0.76 TDP1 (0.36) NPC1POLBALDH1A1HTTSMN1; SMN2
SCHEMBL9214646 0.76 POLB (0.35) NPC1POLBALDH1A1HTTSMN1; SMN2
SCHEMBL9214640 0.76 PARP1 (0.36) NPC1POLBHTTSMN1; SMN2
SCHEMBL9217152 0.76 CES1 (0.38) NPC1POLBHTTSMN1; SMN2

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