SCHEMBL9540920

SCHEMBL9540920

CC(=O)Oc1c(C(=O)Oc2ccccc2)sc2nc(C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 6/20 0.47
NPSR1 Q6W5P4 1/20 0.47
IKBKB O14920 2/20 0.45
LIMK1 P53667 1/20 0.45
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 3/20 0.37
ADORA2A P29274 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL9542517 0.85 MAPT (0.51) MAPTNPC1RAB9AALDH1A1NPSR1
SCHEMBL16475084 0.82 KDM4E (0.48) MAPTNPC1RAB9AALDH1A1NPSR1
SCHEMBL9540913 0.76 ALDH1A1 (0.45) MAPTNPC1RAB9AALDH1A1NPSR1
SCHEMBL16479434 0.72 KDM4E (0.46) MAPTNPC1RAB9AALDH1A1NPSR1
SCHEMBL16475089 0.72 KDM4E (0.46) MAPTNPC1RAB9AALDH1A1NPSR1
SCHEMBL9540895 0.70 MAPT (0.40) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL16475088 0.68 KDM4E (0.61) MAPTNPC1RAB9AALDH1A1NPSR1
SCHEMBL9542502 0.68 ALDH1A1 (0.38) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9541204 0.67 NSD2 (0.42) MAPTALDH1A1KDM4EHPGDKMT2A
SCHEMBL4126822 0.66 IKBKB (0.52) MAPTNPC1RAB9AALDH1A1NPSR1

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