SCHEMBL22018910

SCHEMBL22018910

CCn1c(SCC(=O)NC2=CC=CCC2)nnc1-c1ccc(C#N)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
LMNA P02545 6/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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
SCHEMBL13831992 0.82 LMNA (0.58) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL22019363 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL22018795 0.79 KMT2A (0.53) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL22019358 0.76 KMT2A (0.45) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL22018914 0.76 LMNA (0.44) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL22019616 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL22018548 0.73 NPSR1 (0.56) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL22018940 0.72 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL22018984 0.71 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL15983213 0.69 LMNA (0.63) ALDH1A1LMNAMAPTKMT2AHTT

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