SCHEMBL9064647

SCHEMBL9064647

SN1COC(c2cccs2)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
RPS6KB2 Q9UBS0 2/20 0.37
KDM4E B2RXH2 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
POLB P06746 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GLA P06280 2/20 0.34
ATM Q13315 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2E1 P05181 1/20 0.33

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
SCHEMBL11292201 0.66 MAPT (0.45) MAPTRPS6KB2KDM4EMEN1KMT2A
SCHEMBL29839941 0.66 MAPT (0.45) MAPTRPS6KB2KDM4EMEN1KMT2A
SCHEMBL25204309 0.63 NISCH (0.46) MAPTRPS6KB2KDM4EMEN1KMT2A
SCHEMBL8082831 0.63 KDM4E (0.44) MAPTRPS6KB2KDM4EMEN1KMT2A
SCHEMBL3890295 0.62 KDM4E (0.53) MAPTRPS6KB2KDM4EMEN1KMT2A
SCHEMBL16291133 0.62 L3MBTL1 (0.57) MAPTRPS6KB2KDM4EMEN1KMT2A
SCHEMBL3545 0.62 L3MBTL1 (0.57) MAPTRPS6KB2KDM4EMEN1KMT2A
SCHEMBL15873586 0.61 RPS6KB2 (0.50) MAPTRPS6KB2KDM4EMEN1KMT2A
SCHEMBL13700959 0.60 MAPT (0.43) MAPTRPS6KB2KDM4EMEN1KMT2A
Hydrogen Sulfide SCHEMBL22588115 0.60 L3MBTL1 (0.55) MAPTRPS6KB2KDM4EMEN1KMT2A

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-1996019464-A1 5-SUBSTITUTED-2-(THIOCYANATOMETHYLTHIO)-1,3,4-OXADIAZOLES USEFUL AS ANTIMICROBIALS AND ANTIFOULANTS THE DOW CHEMICAL COMPANY (US) 1996-06-27 WO disclosed