SCHEMBL21709913

SCHEMBL21709913

Nc1nc2ccc(NC=S)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
AXL P30530 1/20 0.51
GFER P55789 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EPHX2 P34913 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 3/20 0.47
PI4KA P42356 3/20 0.47
PI4KB Q9UBF8 3/20 0.47
SCN4A P35499 2/20 0.47
PIK3CA P42336 2/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL9722764 0.84 EPHX2 (0.55) RAB9AMAPTHTTAXLGFER
SCHEMBL20247001 0.78 RAB9A (0.61) RAB9AMAPTHTTAXLGFER
SCHEMBL5213085 0.76 EPHX2 (0.60) RAB9AMAPTHTTAXLGFER
SCHEMBL6067867 0.75 EPHX2 (0.59) RAB9AMAPTHTTAXLGFER
SCHEMBL11699532 0.74 PI4KA (0.59) RAB9AMAPTHTTAXLGFER
SCHEMBL13994014 0.74 RAB9A (0.56) RAB9AMAPTHTTAXLGFER
SCHEMBL13996556 0.74 RAB9A (0.59) RAB9AMAPTHTTAXLGFER
SCHEMBL25262011 0.73 KMT2A (0.68) RAB9AMAPTHTTAXLGFER
SCHEMBL30136375 0.73 EPHX2 (0.68) RAB9AMAPTHTTAXLGFER
SCHEMBL31114573 0.73 KMT2A (0.68) RAB9AMAPTHTTAXLGFER

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-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 WO disclosed