SCHEMBL11017682

SCHEMBL11017682

Cc1[nH]c(=O)c(C#N)cc1-c1csc(-c2ccc(C#N)cc2)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
KDM4E B2RXH2 3/20 0.67
RXFP1 Q9HBX9 1/20 0.67
PDE3A Q14432 4/20 0.54
HPGD P15428 3/20 0.54
PDE3B Q13370 3/20 0.54
PDE4A P27815 2/20 0.54
BLM P54132 2/20 0.54
PDE5A O76074 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
PTGS1 P23219 1/20 0.54
CYP2C19 P33261 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
GAA P10253 2/20 0.50
GALR3 O60755 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL11024447 0.92 MEN1 (0.83) MEN1KMT2AKDM4ERXFP1PDE3A
SCHEMBL11017554 0.90 MEN1 (0.96) MEN1KMT2AKDM4ERXFP1PDE3A
SCHEMBL11021653 0.90 MEN1 (0.80) MEN1KMT2AKDM4ERXFP1PDE3A
SCHEMBL11022291 0.90 MEN1 (0.80) MEN1KMT2AKDM4ERXFP1PDE3A
SCHEMBL11025822 0.90 MEN1 (0.80) MEN1KMT2AKDM4ERXFP1PDE3A
SCHEMBL11023163 0.90 MEN1 (0.80) MEN1KMT2AKDM4ERXFP1PDE3A
SCHEMBL11021324 0.90 MEN1 (0.80) MEN1KMT2AKDM4ERXFP1PDE3A
SCHEMBL3032617 0.90 MEN1 (1.00) MEN1KMT2AKDM4ERXFP1PDE3A
SCHEMBL11021307 0.90 MEN1 (0.83) MEN1KMT2AKDM4ERXFP1PDE3A
SCHEMBL11021090 0.89 MEN1 (0.78) MEN1KMT2AKDM4ERXFP1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed