SCHEMBL9543845

SCHEMBL9543845

CSC(=S)Oc1c(C(=O)O)sc2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 1/20 0.57
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
LIMK1 P53667 1/20 0.43
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 3/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL9541094 0.82 KDM4E (0.51) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4851436 0.80 KDM4E (0.67) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL31463247 0.80 KDM4E (0.67) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4865754 0.78 KDM4E (0.71) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4849845 0.76 KDM4E (0.62) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL13926043 0.75 KDM4E (0.71) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4851353 0.74 KDM4E (0.52) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL9541334 0.74 KDM4E (0.56) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL9539962 0.73 KDM4E (0.57) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4120254 0.73 KDM4E (0.68) KDM4EALDH1A1IKBKBCHUKLIMK1

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-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed