SCHEMBL11057653

SCHEMBL11057653

O=C1CSC(c2cccnc2)N1c1cccc(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.77
ALDH1A1 P00352 3/20 0.75
GFER P55789 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
LMNA P02545 1/20 0.56
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL11059508 0.90 ALDH1A1 (0.74) POLBALDH1A1GFERCYP1A2CYP3A4
SCHEMBL11054061 0.88 ALDH1A1 (0.79) POLBALDH1A1GFERCYP1A2CYP3A4
SCHEMBL11054648 0.87 ALDH1A1 (0.70) POLBALDH1A1GFERCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11055508 0.86 ALDH1A1 (0.77) POLBALDH1A1GFERCYP1A2CYP3A4
SCHEMBL11060729 0.86 ALDH1A1 (1.00) POLBALDH1A1GFERCYP1A2CYP3A4
SCHEMBL11055602 0.84 POLB (0.71) POLBALDH1A1GFERCYP1A2CYP3A4
SCHEMBL11060774 0.83 ALDH1A1 (0.61) POLBALDH1A1GFERCYP1A2CYP3A4
SCHEMBL11055580 0.83 POLB (0.69) POLBALDH1A1GFERCYP1A2CYP3A4
SCHEMBL11064925 0.82 ALDH1A1 (0.67) POLBALDH1A1GFERCYP1A2CYP3A4
SCHEMBL4747954 0.81 ALDH1A1 (0.69) POLBALDH1A1GFERCYP1A2CYP3A4

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