SCHEMBL8895201

SCHEMBL8895201

C=CCOc1cc(C)nc(CCl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NUDT1 P36639 2/20 0.34
POLB P06746 1/20 0.33
SLC6A3 Q01959 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL28538501 0.80 MAPT (0.52) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10576118 0.80 SMN1; SMN2 (0.45) MAPTKMT2AMEN1ALDH1A1NUDT1
SCHEMBL11170200 0.77 NUDT1 (0.58) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8892697 0.75 SLC6A3 (0.47) KMT2AMEN1ALDH1A1NUDT1SLC6A3
SCHEMBL6631073 0.72 HTT (0.46) MAPTKMT2AMEN1POLBGAA
SCHEMBL28534974 0.69 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10852640 0.69 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4872492 0.69 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8892303 0.68 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7009144 0.67 NPC1 (0.40) MAPTKMT2AALDH1A1KDM4EHIF1A

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-1997038995-A1 FUNGICIDAL OXAZOLIDINEDIONE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 WO disclosed