SCHEMBL22018548

SCHEMBL22018548

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C2=CC=CCC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
TSHR P16473 3/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
USP2 O75604 3/20 0.50
TP53 P04637 2/20 0.49
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
HCRTR1 O43613 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL13832269 0.85 NPSR1 (0.66) NPSR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL15983233 0.82 NPSR1 (0.76) NPSR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL13831135 0.81 ALDH1A1 (0.61) NPSR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL13832274 0.81 NPSR1 (0.67) NPSR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL13832310 0.80 NPSR1 (0.66) NPSR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL13832251 0.79 NPSR1 (0.65) NPSR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL13831737 0.79 NPSR1 (0.65) NPSR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL13831768 0.79 NPSR1 (0.68) NPSR1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL13832240 0.78 NPSR1 (0.64) NPSR1TSHRLMNAALDH1A1USP2
SCHEMBL13832237 0.78 NPSR1 (0.64) NPSR1TSHRLMNAALDH1A1SMN1; SMN2

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
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed