SCHEMBL7398166

SCHEMBL7398166

COC(=O)c1ccsc1NC(=O)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.69
KDM4E B2RXH2 5/20 0.68
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 2/20 0.67
TSHR P16473 3/20 0.66
POLB P06746 2/20 0.65
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.54
ALOX12 P18054 1/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
TP53 P04637 2/20 0.54

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
SCHEMBL11898133 0.83 MAPK10 (0.75) MAPK10KMT2ASMN1; SMN2MEN1POLB
SCHEMBL24489078 0.82 MAPK10 (1.00) MAPK10KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL4703988 0.81 KDM4E (1.00) MAPK10KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL16674539 0.78 KDM4E (0.70) MAPK10KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL14095084 0.78 KDM4E (0.74) MAPK10KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL11578842 0.78 KMT2A (0.69) MAPK10KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL3702839 0.77 KMT2A (0.68) MAPK10KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL4066836 0.76 KMT2A (0.67) MAPK10KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL10144692 0.76 TSHR (0.78) KDM4EKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL7398052 0.76 KMT2A (1.00) MAPK10KDM4EKMT2ASMN1; SMN2MEN1

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-2000030646-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 2000-06-02 WO disclosed