SCHEMBL9215403

SCHEMBL9215403

O=C1c2ccccc2C2(c3cccc4c3ccc3ccccc34)SCCN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HPRT1 P00492 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 2/20 0.33
PAX8 Q06710 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 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
SCHEMBL6362219 0.92 SLC6A3 (0.40) POLBNPC1TSHRSLC6A3MEN1
SCHEMBL6362220 0.92 SLC6A3 (0.40) POLBNPC1TSHRSLC6A3MEN1
SCHEMBL9213786 0.89 NPC1 (0.35) POLBNPC1MEN1KMT2AUSP2
SCHEMBL9195253 0.85 SLC6A3 (0.38) POLBNPC1TSHRSLC6A3MEN1
SCHEMBL9205832 0.85 MEN1 (0.36) POLBNPC1TSHRMEN1KMT2A
SCHEMBL9217152 0.82 CES1 (0.38) POLBNPC1TSHRSLC6A3MEN1
SCHEMBL9214979 0.80 PARP1 (0.41) POLBNPC1TSHRSLC6A3MEN1
SCHEMBL9701510 0.79 SLC6A3 (0.33) SLC6A3HPRT1
SCHEMBL9212976 0.78 SLC6A2 (0.42) POLBNPC1SLC6A3MEN1KMT2A
SCHEMBL9701779 0.77 NPC1 (0.34) POLBNPC1MEN1KMT2ACYP1A2

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