SCHEMBL9543599

SCHEMBL9543599

C#CCOc1c(C(=O)O)sc2nc(-c3ccccc3)nc(OC)c12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAOB P27338 7/20 0.40
MAOA P21397 4/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
LIMK1 P53667 1/20 0.37
TSPO P30536 1/20 0.36
LMNA P02545 1/20 0.35
DHPS P49366 1/20 0.35

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
SCHEMBL9540900 0.69 KDM4E (0.41) GAAMAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL9541080 0.69 KDM4E (0.47) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL9541213 0.69 MAPT (0.40) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9543715 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL9539860 0.68 KDM4E (0.43) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6218448 0.64 LHCGR (0.57) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL27490906 0.64 MAPT (0.50) GAAALDH1A1KDM4EHPGDKMT2A
SCHEMBL31156512 0.63 MAPT (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL9381026 0.62 KDM4E (0.54) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL31156495 0.62 TSHR (0.51) GAAALDH1A1SMN1; SMN2KDM4EHPGD

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