SCHEMBL22018480

SCHEMBL22018480

CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc(NC)c(N)cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PTGES O14684 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ THRB P10828 2/20 0.47
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL13831279 0.81 LMNA (0.58) LMNAL3MBTL1PTGESALDH1A1TP53
SCHEMBL4215761 0.78 LMNA (0.74) LMNAL3MBTL1PTGESALDH1A1TP53
SCHEMBL13831736 0.76 ALDH1A1 (0.80) LMNAL3MBTL1ALDH1A1GAAMAPK1
SCHEMBL18559236 0.75 LMNA (1.00) LMNAALDH1A1NPSR1GAATHRB
SCHEMBL13831637 0.74 TP53 (0.55) LMNAL3MBTL1PTGESALDH1A1TP53
SCHEMBL22018800 0.73 LMNA (0.52) LMNAL3MBTL1PTGESALDH1A1TP53
SCHEMBL13832116 0.73 TP53 (0.56) LMNAL3MBTL1PTGESALDH1A1TP53
SCHEMBL13832230 0.72 NPSR1 (0.64) LMNAALDH1A1TP53NPSR1GAA
SCHEMBL15983233 0.71 NPSR1 (0.76) LMNAALDH1A1TP53NPSR1GAA
SCHEMBL16493338 0.71 ATM (0.68) LMNAL3MBTL1ALDH1A1NPSR1GAA

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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