SCHEMBL5330874

SCHEMBL5330874

COc1ccc(CNC(=O)c2ccc3nc(C)cc(Cl)c3c2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 6/20 0.56
LMNA P02545 6/20 0.56
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAOB P27338 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
PPARG P37231 1/20 0.49
NAMPT P43490 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL5327555 0.88 SMN1; SMN2 (0.46) MAPTSMN1; SMN2TP53LMNAALDH1A1
SCHEMBL13544514 0.79 PPARG (0.61) MAPTTP53LMNAALDH1A1TSHR
SCHEMBL5329065 0.78 LMNA (0.60) MAPTSMN1; SMN2TP53LMNAALDH1A1
SCHEMBL13544741 0.77 PPARG (0.61) MAPTTP53LMNAALDH1A1TSHR
SCHEMBL13544512 0.76 MAPT (0.61) MAPTTP53LMNAALDH1A1TSHR
SCHEMBL8759043 0.75 HPGD (0.70) MAPTSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL3524782 0.75 TAS1R3 (0.59) MAPTTP53LMNAALDH1A1TSHR
SCHEMBL5328751 0.74 TP53 (0.56) MAPTTP53LMNAALDH1A1TSHR
SCHEMBL14758444 0.74 SMN1; SMN2 (1.00) MAPTSMN1; SMN2TP53LMNAALDH1A1
SCHEMBL2261220 0.74 APLNR (0.65) MAPTALDH1A1TSHRNPSR1MEN1

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