SCHEMBL16631941

SCHEMBL16631941

CCc1cc2nc(C)c(F)[nH]c-2nc1=S

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL16631938 0.84 KMT2A (0.36) MAPTKMT2ARXFP1KDM4EALDH1A1
SCHEMBL16631930 0.83 HCAR2 (0.31)
SCHEMBL18081976 0.81 OPRK1 (0.32) KMT2AKDM4E
SCHEMBL16631707 0.75 KMT2A (0.31) MAPTKMT2ARXFP1
SCHEMBL16631705 0.74 TNKS (0.33) MAPTKDM4EALDH1A1
SCHEMBL16631937 0.74 KDM4E (0.37) MAPTKMT2ARXFP1KDM4EALDH1A1
SCHEMBL18081955 0.71 PARP1 (0.30)
SCHEMBL16631452 0.69 L3MBTL1 (0.33) MAPTKMT2ARXFP1KDM4E
SCHEMBL16631929 0.68 OPRK1 (0.32) KMT2AKDM4E
SCHEMBL16631299 0.67 KDM4E (0.40) MAPTKDM4E

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