SCHEMBL16631750

SCHEMBL16631750

CCc1cn2c(C)c(C)c(=O)[nH]c2nc1=S

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
RPA1 P27694 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM5B Q9UGL1 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16631760 0.86 HTT (0.32) HTTRPA1KDM4EALDH1A1
SCHEMBL18081793 0.84 KDM4E (0.35) KDM4EALDH1A1HPGD
SCHEMBL18080564 0.78 KDM4E (0.31) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16631770 0.74 KDM4E (0.32) HTTKDM4EALDH1A1HPGD
SCHEMBL16631749 0.71 HTT (0.33) HTTKDM5B
SCHEMBL18081777 0.70 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL16631657 0.69 PYGM (0.36) KDM4E
SCHEMBL18080562 0.69 CHEK1 (0.30)
SCHEMBL18080571 0.65 ALDH1A1 (0.33) KDM4EALDH1A1HPGD
SCHEMBL18080566 0.65 KDM4E (0.30) KDM4EALDH1A1

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