SCHEMBL16631452

SCHEMBL16631452

CCc1cc2c(C)c(F)c(C)[nH]c-2nc1=S

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.32
MAPT P10636 2/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PAX8 Q06710 1/20 0.31
SLC9A1 P19634 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
SCHEMBL16631707 0.88 KMT2A (0.31) MAPTKMT2ARXFP1
SCHEMBL16631922 0.86 L3MBTL1 (0.35) L3MBTL1MAPTKMT2ARXFP1KDM4E
SCHEMBL16631912 0.84 HSP90AA1 (0.33) HSP90AA1SLC9A1
SCHEMBL18080508 0.77 L3MBTL1 (0.30) L3MBTL1
SCHEMBL16631746 0.73 MAP4K1 (0.32) HSP90AA1SLC9A1
SCHEMBL16631553 0.73 KMT2A (0.33) KMT2A
SCHEMBL16631679 0.72 KDM4E (0.38) KDM4E
SCHEMBL18081958 0.72 JAK1 (0.30) SLC9A1
SCHEMBL16631938 0.71 KMT2A (0.36) MAPTKMT2ARXFP1KDM4E
SCHEMBL18081969 0.70 L3MBTL1 (0.33) L3MBTL1MAPTKMT2A

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