SCHEMBL11057002

SCHEMBL11057002

CC1CCC(N2C(=O)C(C)SC2c2cccnc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
TNKS O95271 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 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
SCHEMBL11057270 0.90 CYP11B2 (0.46) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL11055908 0.90 CYP11B2 (0.46) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL11054142 0.89 CYP11B2 (0.44) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL3250767 0.77 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL3250768 0.77 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL9652240 0.77 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL9652237 0.77 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
SCHEMBL3250771 0.77 KDM4E (0.51) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL1793249 0.76 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR
Hydrochloric Acid SCHEMBL1793247 0.76 KDM4E (0.50) KDM4ENPSR1CYP3A4THRBTSHR

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