SCHEMBL11054648

SCHEMBL11054648

O=C1CSC(c2cccnc2)N1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
POLB P06746 2/20 0.68
CYP1A2 P05177 2/20 0.67
CYP2C19 P33261 2/20 0.67
GFER P55789 2/20 0.67
CYP3A4 P08684 1/20 0.67
MAPT P10636 3/20 0.65
GAA P10253 1/20 0.63
CYP2C9 P11712 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL11057983 0.88 MAPT (0.54) ALDH1A1POLBCYP1A2CYP2C19GFER
SCHEMBL11057653 0.87 POLB (0.77) ALDH1A1POLBCYP1A2CYP2C19GFER
SCHEMBL11054061 0.86 ALDH1A1 (0.79) ALDH1A1POLBCYP1A2CYP2C19GFER
SCHEMBL11059508 0.86 ALDH1A1 (0.74) ALDH1A1POLBCYP1A2CYP2C19GFER
Hydrochloric Acid SCHEMBL11055508 0.85 ALDH1A1 (0.77) ALDH1A1POLBCYP1A2CYP2C19GFER
SCHEMBL30876367 0.84 CA1 (0.67) ALDH1A1POLBCYP1A2CYP2C19GFER
SCHEMBL19306311 0.84 CA1 (0.67) ALDH1A1POLBCYP1A2CYP2C19GFER
SCHEMBL11060729 0.82 ALDH1A1 (1.00) ALDH1A1POLBCYP1A2CYP2C19GFER
SCHEMBL19306470 0.82 CA1 (0.65) ALDH1A1POLBCYP1A2CYP2C19GFER
SCHEMBL10991756 0.81 ALDH1A1 (0.79) ALDH1A1POLBCYP1A2CYP2C19GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482712-A FUNGICIDES; HERBICIDES; PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1984-11-13 US disclosed
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 disclosed
US-4436739-A FUNGICIDES ELI LILLY AND COMPANY (US) 1984-03-13 US disclosed
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 disclosed