SCHEMBL22018795

SCHEMBL22018795

CCn1c(SCC(=O)NC2=CC=CCC2)nnc1-c1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 5/20 0.47
MAPK1 P28482 3/20 0.47
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 2/20 0.45
GLA P06280 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL22019363 0.84 ALDH1A1 (0.49) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL13832268 0.83 ALDH1A1 (0.61) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL22019616 0.79 ALDH1A1 (0.45) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL22018910 0.79 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22019358 0.77 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL13832083 0.76 MEN1 (0.60) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL22018914 0.75 LMNA (0.44) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL13832262 0.73 ALDH1A1 (0.61) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL22018792 0.71 LMNA (0.49) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL22018940 0.71 ALDH1A1 (0.54) KMT2AALDH1A1MAPTNPSR1POLB

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