SCHEMBL9541325

SCHEMBL9541325

CCCCNC(=O)c1sc2ncccc2c1OC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.53
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 7/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4851054 0.79 KDM4E (0.66) TP53KDM4EKMT2ANPSR1POLB
SCHEMBL9541320 0.78 KDM4E (0.51) TP53KDM4EKMT2ANPSR1POLB
SCHEMBL9542556 0.77 KDM4E (0.54) TP53KDM4EKMT2ANPSR1POLB
SCHEMBL31463247 0.77 KDM4E (0.67) TP53KDM4EKMT2ANPSR1POLB
SCHEMBL4851436 0.77 KDM4E (0.67) TP53KDM4EKMT2ANPSR1POLB
SCHEMBL9542550 0.76 RAB9A (0.50) KDM4EKMT2ANPSR1POLBCYP1A2
SCHEMBL20722810 0.76 IKBKB (0.64) TP53KDM4EKMT2ANPSR1POLB
SCHEMBL9543792 0.76 KDM4E (0.53) TP53KDM4EKMT2ANPSR1POLB
SCHEMBL4860359 0.75 KDM4E (0.71) TP53KDM4EKMT2ANPSR1POLB
SCHEMBL9539828 0.75 KDM4E (0.53) TP53KDM4EKMT2ANPSR1POLB

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