SCHEMBL5328751

SCHEMBL5328751

COc1ccc(CNC(=O)c2ccc3cccnc3c2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.56
LMNA P02545 5/20 0.56
RXFP1 Q9HBX9 1/20 0.56
EGLN1 Q9GZT9 1/20 0.55
MAPT P10636 4/20 0.54
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 1/20 0.53
NAMPT P43490 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
MAOB P27338 1/20 0.52
ROCK2 O75116 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 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
SCHEMBL5331053 0.87 QPCT (0.46) TP53LMNARXFP1MAPTALDH1A1
SCHEMBL5329065 0.87 LMNA (0.60) TP53LMNAMAPTALDH1A1TSHR
SCHEMBL7014023 0.81 ALDH1A1 (0.59) TP53RXFP1MAPTALDH1A1TSHR
SCHEMBL7014019 0.81 TSHR (0.59) TP53LMNARXFP1MAPTALDH1A1
SCHEMBL13491499 0.80 NPC1 (0.54) TP53RXFP1EGLN1KMT2AROCK2
SCHEMBL4916970 0.80 HPGDS (0.65) TP53ALDH1A1TSHRNPSR1KMT2A
SCHEMBL4927411 0.79 MEN1 (0.77) TP53RXFP1MAPTALDH1A1TSHR
SCHEMBL5212964 0.79 ALDH1A1 (0.65) TP53LMNARXFP1MAPTALDH1A1
SCHEMBL13491644 0.78 ROCK2 (0.56) EGLN1ROCK2TAS1R3TAS1R1
SCHEMBL8759043 0.78 HPGD (0.70) TP53MAPTALDH1A1TSHRNPSR1

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