SCHEMBL5329065

SCHEMBL5329065

COc1ccc(CNC(=O)c2ccc3nccnc3c2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
TP53 P04637 5/20 0.60
DGAT2 Q96PD7 1/20 0.60
MAPT P10636 4/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAOB P27338 1/20 0.55
ROCK2 O75116 1/20 0.55
NAMPT P43490 1/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.54
TAS1R3 Q7RTX0 2/20 0.52
TAS1R1 Q7RTX1 2/20 0.52
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL5328751 0.87 TP53 (0.56) LMNATP53MAPTALDH1A1TSHR
SCHEMBL5332226 0.86 QPCT (0.51) LMNATP53DGAT2MAPTNPC1
SCHEMBL5212964 0.82 ALDH1A1 (0.65) LMNATP53MAPTALDH1A1TSHR
SCHEMBL7014019 0.80 TSHR (0.59) LMNATP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL13450633 0.79 ALDH1A1 (0.60) LMNATP53MAPTALDH1A1TSHR
SCHEMBL8759043 0.79 HPGD (0.70) TP53MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL5330874 0.78 MAPT (0.59) LMNATP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL4886080 0.77 ROCK2 (0.63) LMNATP53MAPTALDH1A1TSHR
SCHEMBL13544740 0.77 MAPT (0.61) LMNATP53MAPTALDH1A1TSHR
SCHEMBL13544512 0.77 MAPT (0.61) LMNATP53MAPTALDH1A1TSHR

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