SCHEMBL9540940

SCHEMBL9540940

COc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HPGD P15428 2/20 0.47
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 4/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
LIMK1 P53667 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4851436 0.83 KDM4E (0.67) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL31463247 0.83 KDM4E (0.67) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL20722810 0.81 IKBKB (0.64) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL9539828 0.80 KDM4E (0.53) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL9543792 0.79 KDM4E (0.53) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL4851054 0.79 KDM4E (0.66) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL9542556 0.78 KDM4E (0.54) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL9540843 0.76 KMT2A (0.51) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL9541320 0.76 KDM4E (0.51) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL9541059 0.74 KDM4E (0.57) KDM4EALDH1A1MAPTNPSR1HPGD

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