SCHEMBL9214979

SCHEMBL9214979

Cc1ccc2c(c1)C1(c3cccc4ccccc34)SCCN1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 3/20 0.36
CHRM5 P08912 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
POLB P06746 3/20 0.33
SLC6A3 Q01959 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP1A2 P05177 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
SCHEMBL6362219 0.87 SLC6A3 (0.40) PARP1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL6362220 0.87 SLC6A3 (0.40) PARP1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL9213793 0.82 PARP1 (0.42) PARP1MAPTCHRM5SMN1; SMN2KMT2A
SCHEMBL9212625 0.81 PARP1 (0.46) PARP1MAPTCHRM5SMN1; SMN2KMT2A
SCHEMBL9221801 0.81 PARP1 (0.46) PARP1MAPTCHRM5SMN1; SMN2KMT2A
SCHEMBL9215403 0.80 TDP1 (0.36) PARP1SMN1; SMN2KMT2ALMNAPOLB
SCHEMBL9701475 0.80 MDM2 (0.36) MAPTCHRM5SMN1; SMN2KMT2ALMNA
SCHEMBL9217152 0.80 CES1 (0.38) PARP1MAPTCHRM5SMN1; SMN2KMT2A
SCHEMBL9195253 0.80 SLC6A3 (0.38) PARP1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL9207899 0.79 PARP1 (0.45) PARP1MAOBMAPTCHRM5SMN1; 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