SCHEMBL9540895

SCHEMBL9540895

COc1ccc2c(O)c(C(=O)Oc3ccccc3)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
NSD2 O96028 1/20 0.38
MAOB P27338 1/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
TLR9 Q9NR96 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL9541088 0.81 KMT2A (0.37) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL9541204 0.77 NSD2 (0.42) MAPTKMT2AALDH1A1MEN1NSD2
SCHEMBL9541069 0.76 KDM4E (0.49) MAPTKMT2AALDH1A1NSD2HPGD
SCHEMBL9542502 0.76 ALDH1A1 (0.38) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL9540890 0.75 ALDH1A1 (0.43) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL9542671 0.74 NSD2 (0.37) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL9540999 0.74 TMPRSS15 (0.38) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL4130608 0.71 KDM4E (0.50) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL30968434 0.70 LIMK1 (0.51) MAPTKMT2AALDH1A1MEN1L3MBTL1

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