SCHEMBL11059909

SCHEMBL11059909

CC1SC(c2cccnc2)N(C(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.38

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
SCHEMBL11059787 0.87 ALDH1A1 (0.43) CYP3A4KDM4ENPSR1THRBTSHR
SCHEMBL11060562 0.85 TDP1 (0.38) CYP3A4KDM4ENPSR1THRBTSHR
SCHEMBL11060567 0.83 MAPT (0.40) CYP3A4KDM4ENPSR1THRBTSHR
SCHEMBL11056898 0.83 MAPT (0.47) CYP3A4KDM4ENPSR1THRBTSHR
SCHEMBL3250768 0.82 KDM4E (0.51) CYP3A4KDM4ENPSR1THRBTSHR
SCHEMBL9652240 0.82 KDM4E (0.51) CYP3A4KDM4ENPSR1THRBTSHR
SCHEMBL3250767 0.82 KDM4E (0.51) CYP3A4KDM4ENPSR1THRBTSHR
SCHEMBL9652237 0.82 KDM4E (0.51) CYP3A4KDM4ENPSR1THRBTSHR
SCHEMBL3250771 0.82 KDM4E (0.51) CYP3A4KDM4ENPSR1THRBTSHR
SCHEMBL11057557 0.82 KDM4E (0.39) CYP3A4KDM4ENPSR1THRBTSHR

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