SCHEMBL22340657

SCHEMBL22340657

COc1ccccc1C(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.75
GAA P10253 2/20 0.75
HSD17B10 Q99714 2/20 0.75
MAPT P10636 1/20 0.75
MAPK1 P28482 1/20 0.75
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 1/20 0.62
CTSD P07339 1/20 0.61
LMNA P02545 1/20 0.60
KCNMA1 Q12791 1/20 0.59
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
METAP2 P50579 1/20 0.58
STAT3 P40763 1/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
RXFP1 Q9HBX9 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL12912328 0.87 KCNMA1 (0.71) TSHRGAAHSD17B10MAPTMAPK1
SCHEMBL12368122 0.87 KMT2A (0.79) TSHRGAAHSD17B10MAPTMAPK1
SCHEMBL11789728 0.86 KCNK3 (0.66) TSHRGAAHSD17B10MAPTMAPK1
SCHEMBL5928993 0.86 TSHR (1.00) TSHRGAAHSD17B10MAPTMAPK1
SCHEMBL27848838 0.86 KMT2A (0.77) TSHRGAAHSD17B10MAPTMAPK1
SCHEMBL1623330 0.85 MAPT (0.73) TSHRGAAHSD17B10MAPTMAPK1
SCHEMBL28585692 0.83 TSHR (0.73) TSHRGAAHSD17B10MAPTMAPK1
SCHEMBL12368197 0.83 KCNMA1 (0.74) TSHRGAAHSD17B10MAPTMAPK1
SCHEMBL7367182 0.82 CHEK1 (0.80) TSHRHSD17B10KMT2AMEN1RAB9A
SCHEMBL1624054 0.82 KMT2A (0.56) TSHRGAAHSD17B10MAPTMAPK1

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-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 WO disclosed