SCHEMBL9543629

SCHEMBL9543629

COc1c(Cl)sc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SYK P43405 1/20 0.40
CLK1 P49759 2/20 0.39
KAT2B Q92831 1/20 0.39
TP53 P04637 1/20 0.39
G6PD P11413 1/20 0.39

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
SCHEMBL9543636 0.81 KDM4E (0.43) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL4851436 0.78 KDM4E (0.67) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL31463247 0.78 KDM4E (0.67) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL9543792 0.76 KDM4E (0.53) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL9541281 0.76 KAT2B (0.43) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL9541110 0.76 KDM4E (0.44) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL4851054 0.73 KDM4E (0.66) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL20722810 0.73 IKBKB (0.64) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL9539828 0.72 KDM4E (0.53) KDM4EKMT2ANPSR1CYP1A2POLB
SCHEMBL9541132 0.71 KDM4E (0.36) KDM4EKMT2ANPSR1CYP1A2POLB

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