SCHEMBL11118545

SCHEMBL11118545

O=C1CCSC(c2cccnc2)N1CCCC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL11060796 0.82 MAPT (0.79) MAPTNPSR1POLBALDH1A1TDP1
SCHEMBL11119675 0.80 MAPT (0.47) MAPTNPSR1POLBALDH1A1TDP1
SCHEMBL11486443 0.77 TDP1 (0.47) MAPTNPSR1POLBALDH1A1TDP1
SCHEMBL11058008 0.76 ALDH1A1 (0.47) MAPTNPSR1POLBALDH1A1TDP1
SCHEMBL11063611 0.75 TDP1 (0.42) MAPTNPSR1POLBALDH1A1TDP1
SCHEMBL11059892 0.75 ALDH1A1 (0.46) MAPTNPSR1POLBALDH1A1TDP1
SCHEMBL11057788 0.74 MAPT (0.65) MAPTNPSR1POLBALDH1A1TDP1
SCHEMBL11054655 0.74 MAPT (0.65) MAPTNPSR1POLBALDH1A1TDP1
SCHEMBL11058159 0.70 MAPT (1.00) MAPTNPSR1POLBALDH1A1TDP1
SCHEMBL11056912 0.70 MAPT (1.00) MAPTNPSR1POLBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010420-B1 PYRIDYL-SUBSTITUTED THIAZOLIDINE AND 1,3-THIAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AGRICULTURAL COMPOSITIONS CONTAINING SAID DERIVATIVES AND METHODS FOR REGULATING PLANT GROWTH AND PROTECTING PLANTS FROM FUNGI ELI LILLY AND COMPANY (US) 1984-08-22 EP claimed
EP-0010420-A1 Pyridyl-substituted thiazolidine and 1,3-thiazine derivatives, processes for their preparation, agricultural compositions containing said derivatives and methods for regulating plant growth and protecting plants from fungi ELI LILLY AND COMPANY (US) 1980-04-30 EP claimed