SCHEMBL5332226

SCHEMBL5332226

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.51
PTPN7 P35236 1/20 0.48
DUSP3 P51452 1/20 0.48
APLNR P35414 1/20 0.48
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
LMNA P02545 5/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
STAT1 P42224 1/20 0.45
MAOB P27338 1/20 0.45
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43

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) QPCTPTPN7DUSP3APLNRTSHR
SCHEMBL5329065 0.86 LMNA (0.60) TSHRALDH1A1NPSR1MAPTTP53
SCHEMBL4739043 0.78 APLNR (0.55) QPCTPTPN7DUSP3APLNRTSHR
SCHEMBL5327555 0.78 SMN1; SMN2 (0.46) QPCTPTPN7DUSP3APLNRTSHR
SCHEMBL26324037 0.74 APLNR (0.65) QPCTAPLNRTSHRALDH1A1NPSR1
SCHEMBL5328751 0.73 TP53 (0.56) TSHRALDH1A1NPSR1MAPTTP53
SCHEMBL2226834 0.73 APLNR (0.63) QPCTAPLNRTSHRALDH1A1NPSR1
SCHEMBL20496920 0.72 APLNR (0.61) QPCTAPLNRTSHRALDH1A1NPSR1
SCHEMBL7014019 0.71 TSHR (0.59) TSHRALDH1A1NPSR1MAPTTP53
SCHEMBL13491562 0.70 HTT (0.46) PTPN7DUSP3ALDH1A1MAPTNPC1

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