SCHEMBL5331053

SCHEMBL5331053

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.46
TP53 P04637 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 6/20 0.45
TSHR P16473 5/20 0.45
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
CLK4 Q9HAZ1 4/20 0.45
USP2 O75604 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
APLNR P35414 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RY14 Q15391 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL5328751 0.87 TP53 (0.56) TP53RXFP1LMNATSHRKMT2A
SCHEMBL5332226 0.87 QPCT (0.51) QPCTTP53LMNATSHRCYP1A2
SCHEMBL4739043 0.74 APLNR (0.55) QPCTTSHRMEN1KMT2AAPLNR
SCHEMBL5327555 0.74 SMN1; SMN2 (0.46) QPCTTP53LMNATSHRCYP1A2
SCHEMBL13491562 0.74 HTT (0.46) LMNAALOX15MEN1KMT2AALDH1A1
SCHEMBL5329065 0.73 LMNA (0.60) TP53LMNATSHRALDH1A1NPSR1
SCHEMBL29096117 0.73 PDGFRB (0.62) LMNACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7014023 0.72 ALDH1A1 (0.59) TP53RXFP1TSHRHSD17B10MEN1
SCHEMBL7014019 0.72 TSHR (0.59) TP53RXFP1LMNATSHRHSD17B10
SCHEMBL7014974 0.72 MAPT (0.49) TP53RXFP1LMNATSHRMEN1

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