SCHEMBL4734077

SCHEMBL4734077

CCOc1ccc(N(Cc2ccc(N(CC)C3CC3)cc2)C(=O)c2csc(C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 3/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
CNR2 P34972 3/20 0.37
PLA2G4A P47712 1/20 0.36
NPC1 O15118 1/20 0.36
CNR1 P21554 1/20 0.36
PDK1 Q15118 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
SCHEMBL4736992 0.92 MEN1 (0.43) TP53SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL3819010 0.71 RNF4 (0.47) MEN1KMT2ACNR2CNR1
SCHEMBL4737523 0.68 ALDH1A1 (0.45) TP53SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL4734150 0.68 KMT2A (0.48) ALDH1A1LMNAMEN1KMT2APDK1
SCHEMBL1246763 0.67 ALDH1A1 (0.50) TP53SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL3822517 0.66 LTB4R2 (0.46) ALDH1A1MEN1KMT2ACNR2CNR1
SCHEMBL3819221 0.66 CHRM2 (0.44) MEN1KMT2ACNR2CNR1
SCHEMBL8462620 0.66 MAPT (0.45) MAPTALDH1A1GAALMNAMEN1
SCHEMBL4735333 0.65 ALDH1A1 (0.48) TP53ALDH1A1LMNAMEN1KMT2A
SCHEMBL4737670 0.65 SMN1; SMN2 (0.46) TP53SMN1; SMN2MAPTALDH1A1GAA

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed