SCHEMBL9217152

SCHEMBL9217152

O=C1c2ccccc2C2(c3c4ccccc4cc4ccccc34)SCCN12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.38
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
PARP1 P09874 4/20 0.34
CHRM5 P08912 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRKDC P78527 1/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 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
SCHEMBL9700348 0.93 CES1 (0.36) CES1POLBNPC1PARP1CHRM5
SCHEMBL6362219 0.87 SLC6A3 (0.40) POLBNPC1PARP1MEN1KMT2A
SCHEMBL6362220 0.87 SLC6A3 (0.40) POLBNPC1PARP1MEN1KMT2A
SCHEMBL9213786 0.86 NPC1 (0.35) CES1POLBNPC1PARP1CHRM5
SCHEMBL9215403 0.82 TDP1 (0.36) POLBNPC1PARP1MEN1KMT2A
SCHEMBL9701779 0.81 NPC1 (0.34) CES1POLBNPC1PARP1CHRM5
SCHEMBL9214979 0.80 PARP1 (0.41) POLBNPC1PARP1CHRM5MEN1
SCHEMBL9212976 0.80 SLC6A2 (0.42) POLBNPC1CHRM5MEN1KMT2A
SCHEMBL9195253 0.80 SLC6A3 (0.38) POLBNPC1PARP1MEN1KMT2A
SCHEMBL9205832 0.80 MEN1 (0.36) POLBNPC1PARP1CHRM5MEN1

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