SCHEMBL11201564

SCHEMBL11201564

c1csc(Sc2ncc[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.42
BRAF P15056 1/20 0.41
TXN P10599 1/20 0.33
TXNRD1 Q16881 1/20 0.33
MYC P01106 1/20 0.33
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
GCK P35557 1/20 0.32
FDPS P14324 1/20 0.32
PDE7A Q13946 2/20 0.31
GABRA1 P14867 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
POLB P06746 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
SCHEMBL8537553 0.73 CSNK1A1 (0.41) FBP1BRAFMTORADKNISCH
SCHEMBL1740306 0.73 TXN (0.45) BRAFTXNTXNRD1MYCMTOR
SCHEMBL2432241 0.71 FBP1 (0.68) FBP1PDE7APOLBTAAR1
SCHEMBL5032699 0.69 MTOR (0.45) TXNTXNRD1MTORADKNISCH
SCHEMBL4923332 0.68 FBP1 (0.46) FBP1PDE7A
SCHEMBL28588898 0.67 EHMT2 (0.48) FBP1BRAFGABRA1GABRG2GABRB3
SCHEMBL6527005 0.67 EHMT2 (0.48) TXNTXNRD1MTORADKNISCH
SCHEMBL9045818 0.67 MYC (0.43) TXNTXNRD1MYCGCKFDPS
SCHEMBL857391 0.65 AXL (0.45)
SCHEMBL924231 0.64 MTOR (0.36) BRAFTXNTXNRD1MTORADK

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
US-4402960-A Antiinflammatory imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1983-09-06 US disclosed