SCHEMBL22018800

SCHEMBL22018800

CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2nc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PTGES O14684 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ POLB P06746 2/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TP53 P04637 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ THRB P10828 3/20 0.47

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
SCHEMBL13832116 0.83 TP53 (0.56) LMNAL3MBTL1PTGESALDH1A1MAPT
SCHEMBL4215761 0.82 LMNA (0.74) LMNAL3MBTL1PTGESALDH1A1MAPT
SCHEMBL13831736 0.78 ALDH1A1 (0.80) LMNAL3MBTL1ALDH1A1MAPTPOLB
SCHEMBL13831637 0.75 TP53 (0.55) LMNAL3MBTL1PTGESALDH1A1MAPT
SCHEMBL4205567 0.73 LMNA (0.66) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13831279 0.73 LMNA (0.58) LMNAL3MBTL1PTGESALDH1A1POLB
SCHEMBL22018480 0.73 LMNA (0.59) LMNAL3MBTL1PTGESALDH1A1MAPT
SCHEMBL13831457 0.72 MEN1 (0.61) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL15983682 0.72 ALDH1A1 (0.73) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4206993 0.72 THRB (0.65) LMNAL3MBTL1ALDH1A1MAPTSMN1; 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
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