SCHEMBL11055908

SCHEMBL11055908

CC1SC(c2cccnc2)N(C2CCCCC2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 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
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRNB2 P17787 4/20 0.42
CHRNA7 P36544 4/20 0.42
CHRNA4 P43681 4/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 2/20 0.42
CYP2A6 P11509 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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 1.00 CYP11B2 (0.46) CYP11B2MEN1KMT2AKDM4ECYP3A4
Hydrochloric Acid SCHEMBL11054142 0.99 CYP11B2 (0.44) CYP11B2MEN1KMT2AKDM4ECYP3A4
SCHEMBL11057002 0.90 KDM4E (0.44) MEN1KMT2AKDM4ECYP3A4THRB
SCHEMBL11057449 0.80 ALDH1A1 (0.43) CYP11B2MEN1KMT2AKDM4ECYP3A4
SCHEMBL11059892 0.78 ALDH1A1 (0.46) CYP11B2MEN1KMT2AKDM4ECYP3A4
SCHEMBL3250768 0.77 KDM4E (0.51) MEN1KMT2AKDM4ECYP3A4THRB
SCHEMBL9652237 0.77 KDM4E (0.51) MEN1KMT2AKDM4ECYP3A4THRB
SCHEMBL9652240 0.77 KDM4E (0.51) MEN1KMT2AKDM4ECYP3A4THRB
SCHEMBL3250771 0.77 KDM4E (0.51) MEN1KMT2AKDM4ECYP3A4THRB
SCHEMBL3250767 0.77 KDM4E (0.51) MEN1KMT2AKDM4ECYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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