SCHEMBL5484737

SCHEMBL5484737

O=C1CSC(=S)N1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.51
GSK3B P49841 3/20 0.51
P2RX4 Q99571 2/20 0.49
CTRB1 P17538 1/20 0.49
P2RX1 P51575 1/20 0.48
P2RX3 P56373 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL274967 0.77 P2RX4 (0.58) P2RX4CTRB1P2RX1P2RX3MEN1
SCHEMBL8526862 0.75 P2RX4 (0.55) P2RX4CTRB1P2RX1P2RX3MEN1
SCHEMBL5163610 0.73 KMT2A (0.56) P2RX4P2RX1P2RX3MEN1KMT2A
SCHEMBL29235094 0.72 NPC1 (0.61) P2RX4CTRB1P2RX1P2RX3MEN1
SCHEMBL19984711 0.72 P2RX4 (0.64) P2RX4CTRB1P2RX1P2RX3MEN1
SCHEMBL5488441 0.71 BCHE (0.45) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL22184884 0.71 HTR2C (0.55) P2RX4CTRB1P2RX1P2RX3MEN1
SCHEMBL5086855 0.71 CTRB1 (0.70) P2RX4CTRB1P2RX1P2RX3MEN1
SCHEMBL9009580 0.70 P2RX4 (0.50) P2RX4CTRB1P2RX1P2RX3MEN1
SCHEMBL8777369 0.70 P2RX4 (0.50) P2RX4CTRB1P2RX1P2RX3MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7270801-B2 Fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2007-09-18 US disclosed
EP-1026988-A4 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA INC (US) 2005-03-30 EP disclosed
US-20040191844-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2004-09-30 US disclosed
US-6759207-B2 REPORTER COMPOUND FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF CANCER CYTOVIA, INC. 2004-07-06 US disclosed
US-20020150885-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. 2002-10-17 US disclosed
US-6342611-B1 BLOCKED RHODAMINE DERIVATIVES CYTOVIA, INC. 2002-01-29 US disclosed
US-6335429-B1 COMPOUND INCLUDING SUBSTRATE FOR ENZYME AND RHODAMINE DYE; DRUG SCREENING FOR ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2002-01-01 US disclosed
EP-1026988-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES Cytovia, Inc. (US) 2000-08-16 EP disclosed
WO-1999018856-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA, INC. (US) 1999-04-22 WO disclosed