SCHEMBL11059787

SCHEMBL11059787

CC1SC(c2cccnc2)N(C(C)c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
P2RX7 Q99572 3/20 0.40
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MARK3 P27448 1/20 0.37
MARK4 Q96L34 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL11059909 0.87 CYP3A4 (0.43) ALDH1A1KDM4ECYP3A4NPSR1THRB
SCHEMBL11060562 0.79 TDP1 (0.38) ALDH1A1KDM4ECYP3A4NPSR1THRB
SCHEMBL11060567 0.77 MAPT (0.40) ALDH1A1KDM4ECYP3A4NPSR1THRB
SCHEMBL11059756 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ECYP3A4NPSR1THRB
SCHEMBL11056898 0.77 MAPT (0.47) ALDH1A1KDM4ECYP3A4NPSR1THRB
SCHEMBL9652240 0.76 KDM4E (0.51) ALDH1A1KDM4ECYP3A4NPSR1THRB
SCHEMBL3250771 0.76 KDM4E (0.51) ALDH1A1KDM4ECYP3A4NPSR1THRB
SCHEMBL9652237 0.76 KDM4E (0.51) ALDH1A1KDM4ECYP3A4NPSR1THRB
SCHEMBL3250768 0.76 KDM4E (0.51) ALDH1A1KDM4ECYP3A4NPSR1THRB
SCHEMBL3250767 0.76 KDM4E (0.51) ALDH1A1KDM4ECYP3A4NPSR1THRB

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