SCHEMBL8892697

SCHEMBL8892697

COc1cc(C)nc(CCl)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.47
CYP1A2 P05177 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
NUDT1 P36639 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 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
SCHEMBL379405 0.87 SMN1; SMN2 (0.43) SLC6A3CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL13230223 0.82 SMN1; SMN2 (0.41) SLC6A3CYP1A2SMN1; SMN2TSHRALDH1A1
SCHEMBL10272807 0.82 SLC6A3 (0.48) SLC6A3CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL10576118 0.81 SMN1; SMN2 (0.45) KMT2AMEN1SMN1; SMN2TSHRALDH1A1
SCHEMBL6631073 0.80 HTT (0.46) CYP1A2KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL10506569 0.80 SLC6A3 (0.47) SLC6A3CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL23458233 0.76 HTT (0.42) SLC6A3CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL8895201 0.75 MAPT (0.50) SLC6A3KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11077413 0.74 HTT (0.50) CYP1A2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11304786 0.73 NPSR1 (0.52) CYP1A2KMT2AHTTLMNA

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