SCHEMBL8554268

SCHEMBL8554268

COC(=O)c1ccc2c(CCC(C)=O)cn(Cc3ccccc3Cl)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TP53 P04637 3/20 0.51
SLC22A12 Q96S37 1/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR2 P34972 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL8554617 0.88 MAPT (0.52) MAPTTP53SLC22A12LMNAMEN1
SCHEMBL7422870 0.82 MAPT (0.55) MAPTTP53SLC22A12LMNAMEN1
SCHEMBL7425520 0.81 MAPT (0.52) MAPTTP53SLC22A12LMNAMEN1
SCHEMBL7470611 0.81 MAPT (0.52) MAPTTP53SLC22A12LMNAMEN1
SCHEMBL7467136 0.80 TSHR (0.48) MAPTTP53SLC22A12LMNAMEN1
SCHEMBL7421750 0.78 CNR2 (0.45) MAPTTP53SLC22A12LMNAMEN1
SCHEMBL7421205 0.73 L3MBTL1 (0.62) MAPTTP53LMNAMEN1KMT2A
SCHEMBL7472560 0.73 MAPT (0.49) MAPTTP53LMNAMEN1KMT2A
SCHEMBL28566459 0.73 PLAU (0.52) MAPTTP53LMNAMEN1KMT2A
SCHEMBL30185536 0.73 PLAU (0.52) MAPTTP53LMNAMEN1KMT2A

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
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed