SCHEMBL4389588

SCHEMBL4389588

CC(C(O)=S)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 1/20 0.53
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KCNA5 P22460 6/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNE1 P15382 2/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL289900 0.91 CYP1A2 (0.53) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL11832284 0.82 CYP1A2 (0.51) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL289898 0.82 CYP1A2 (0.56) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL24239786 0.80 CYP3A4 (0.53) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL6264784 0.80 CYP3A4 (0.62) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL933349 0.80 CYP3A4 (0.62) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL11195298 0.79 CYP1A2 (0.49) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL6256359 0.79 CYP1A2 (0.56) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
Hydrogen Sulfide SCHEMBL8052104 0.78 CYP3A4 (0.60) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28672927 0.78 CYP3A4 (0.60) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3

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
EP-1637883-B1 IMMUNOCHROMATOGRAPHIC METHOD MITSUBISHI KAGAKU IATRON INC (JP) 2009-11-25 EP disclosed
US-20060286679-A1 Immunochromatographic method MITSUBISHI KAGAKU LATRON, INC. (JP) 2006-12-21 US disclosed
EP-1637883-A1 IMMUNOCHROMATOGRAPHIC METHOD Mitsubishi Kagaku Iatron, Inc. (JP) 2006-03-22 EP disclosed
US-6274322-B1 TRANSFECTION KIT; FOR USE AS NUCLEOTIDE SEQUENCE TOOL DURING GENETIC ENGINEERING BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2001-08-14 US disclosed
US-6077663-A TRANSFECTION COMPLEX OF ONE OR MORE NUCLEIC ACIDS, A SUBSTANCE WITH AFFINITY TO NUCLEIC ACIDS OPTIONALLY COUPLED WITH INTERNALIZING FACTOR, AND AN ENDOSOMOLYTIC AGENT WHICH IS EITHER PART OF THE COMPLEX OR SEPARATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2000-06-20 US disclosed
US-6022735-A VIRAL PEPTIDE FOR EFFICIENT TRANSFECTION OF NUCLEOTIDES INTO HIGHER EUCARYOTIC CELL BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2000-02-08 US disclosed
US-5981273-A COMPLEX FOR EFFICIENT TRANSFECTION INCLUDES NUCLEIC ACID OF INTEREST, NUCLEIC ACID BINDING SUBSTANCE, AND ENDOSOMOLYTIC AGENT WHICH IS VIRUS OR COMPONENT BUT NOT INTERNALIZING FACTOR FOR HUMAN CELL; GENE THERAPY BOEHRINGER INGELHEIM INT'L. GMBH 1999-11-09 US disclosed
WO-1998035707-A1 COMPOSITIONS THAT BIND TO PANCREATIC CANCER CELLS AND METHODS OF USING THE SAME THOMAS JEFFERSON UNIVERSITY (US) 1998-08-20 WO disclosed
US-5547932-A TRANSFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 1996-08-20 US disclosed