SCHEMBL5328632

SCHEMBL5328632

COc1ccc(CNC(=O)c2nc3ccccc3s2)c(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.79
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
MAPT P10636 3/20 0.59
TP53 P04637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 2/20 0.58
PKM P14618 2/20 0.58
RAB9A P51151 2/20 0.58
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
THRB P10828 1/20 0.58
HTT P42858 2/20 0.57

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
SCHEMBL3261601 0.82 MAOB (0.78) MAOBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4926069 0.80 CLK1 (0.64) MAOBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL4927411 0.78 MEN1 (0.77) MAOBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL8759043 0.76 HPGD (0.70) KMT2AMEN1TAS1R3TAS1R1MAPT
SCHEMBL7000901 0.76 MAOB (0.72) MAOBKMT2AMEN1TP53ALDH1A1
SCHEMBL4916970 0.76 HPGDS (0.65) KMT2AMEN1TAS1R3TAS1R1TP53
SCHEMBL4202984 0.75 TAS1R3 (1.00) TAS1R3TAS1R1MAPTTP53RXFP1
SCHEMBL20449479 0.75 MAOB (0.59) MAOBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL6952697 0.75 MAPT (0.48) MAOBKMT2AMEN1MAPTTP53
SCHEMBL701161 0.74 MAPT (0.54) MAOBKMT2AMEN1TAS1R3TAS1R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007138112-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed
WO-2007138112-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO disclosed