SCHEMBL16631362

SCHEMBL16631362

CCn1cc2c(=O)c(C)c(C(F)(F)F)[nH]c2nc1=S

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL16631683 0.87 MEN1 (0.30)
SCHEMBL18081850 0.84
SCHEMBL16631759 0.84 KMT2A (0.32) ALDH1A1
SCHEMBL18080596 0.81 KRAS (0.34)
SCHEMBL18081915 0.76 PDE3B (0.31)
SCHEMBL16631754 0.73 MEN1 (0.33) KDM4EALDH1A1
SCHEMBL18080592 0.73 KRAS (0.33)
SCHEMBL16631765 0.72 NPSR1 (0.33) KDM4EALDH1A1
SCHEMBL16631764 0.72 LMNA (0.33) KDM4EALDH1A1
SCHEMBL18081851 0.71

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
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed