SCHEMBL22019358

SCHEMBL22019358

CCn1c(SCC(=O)NC2=CC=CCC2)nnc1-c1ccncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 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
SCHEMBL13831740 0.81 NPSR1 (0.57) KMT2AALDH1A1LMNAMEN1TP53
SCHEMBL22018914 0.79 LMNA (0.44) KMT2AALDH1A1LMNAMEN1HTT
SCHEMBL22019363 0.78 ALDH1A1 (0.49) KMT2AALDH1A1LMNAMAPK1MEN1
SCHEMBL22018795 0.77 KMT2A (0.53) KMT2AALDH1A1LMNAMAPK1MEN1
SCHEMBL22018910 0.76 ALDH1A1 (0.46) KMT2AALDH1A1LMNAMAPK1MEN1
SCHEMBL22019616 0.74 ALDH1A1 (0.45) KMT2AALDH1A1LMNAMAPK1MEN1
SCHEMBL22018940 0.73 ALDH1A1 (0.54) KMT2AALDH1A1LMNAMAPK1HTT
SCHEMBL13831546 0.70 TSHR (0.62) KMT2AALDH1A1LMNAMEN1HTT
SCHEMBL13831727 0.69 NPSR1 (0.56) KMT2AALDH1A1LMNAMAPK1MEN1
SCHEMBL13831168 0.69 NPSR1 (0.56) KMT2AALDH1A1LMNAMAPK1MEN1

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