SCHEMBL7255351

SCHEMBL7255351

[c]1nnsc1-c1nnco1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.38
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR8 Q9NR97 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL12906161 0.68 NOTUM (0.59) NOTUMTSHRMAPTALDH1A1TLR8
SCHEMBL24924947 0.64 NOTUM (0.41) NOTUMTSHRMAPTALDH1A1TLR8
SCHEMBL27883020 0.61 NOTUM (0.44) NOTUMTSHRMAPTALDH1A1KDM4E
SCHEMBL2469949 0.61 NOTUM (0.38) NOTUMTSHRMAPTALDH1A1TLR8
SCHEMBL16799432 0.61 NOTUM (0.42) NOTUMTSHRMAPTALDH1A1TLR8
SCHEMBL17694561 0.60 NOTUM (0.78) NOTUMTSHRMAPTALDH1A1TLR8
SCHEMBL539177 0.60 NOTUM (0.41) NOTUMTSHRALDH1A1LMNAHPGD
SCHEMBL4760927 0.59 NOTUM (0.39) NOTUMTSHRMAPTALDH1A1TLR8
SCHEMBL2610163 0.58 NOTUM (0.75) NOTUMTSHRMAPTALDH1A1TLR8
SCHEMBL28450882 0.58 NOTUM (0.38) NOTUMTSHRMAPTTLR8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003070712-A1 THIOIBOTENIC ACID AND DERIVATIVES THEREOF H. LUNDBECK A/S (DK) 2003-08-28 WO disclosed