SCHEMBL9542550

SCHEMBL9542550

COc1c(C(=O)NC2CCCCC2)sc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 7/20 0.47
KMT2A Q03164 7/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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 0.78 KDM4E (0.66) KDM4EKMT2ANPSR1GAACYP1A2
SCHEMBL9541320 0.77 KDM4E (0.51) KDM4EKMT2ANPSR1GAACYP1A2
SCHEMBL9542556 0.76 KDM4E (0.54) RAB9AKDM4EKMT2ANPSR1GAA
SCHEMBL31463247 0.76 KDM4E (0.67) KDM4EKMT2ANPSR1GAACYP1A2
SCHEMBL4851436 0.76 KDM4E (0.67) KDM4EKMT2ANPSR1GAACYP1A2
SCHEMBL9541325 0.76 TP53 (0.53) KDM4EKMT2ANPSR1GAACYP1A2
SCHEMBL20722810 0.75 IKBKB (0.64) KDM4EKMT2ANPSR1GAACYP1A2
SCHEMBL9543792 0.75 KDM4E (0.53) KDM4EKMT2ANPSR1GAACYP1A2
SCHEMBL9539828 0.74 KDM4E (0.53) KDM4EKMT2ANPSR1GAACYP1A2
SCHEMBL9540843 0.73 KMT2A (0.51) KDM4EKMT2ANPSR1GAACYP1A2

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