SCHEMBL22019409

SCHEMBL22019409

CCn1c(SC2(C(=O)NC3=CC=CCC3)CCC2)nnc1-c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 8/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 2/20 0.33
RECQL P46063 1/20 0.33
NOD2 Q9HC29 1/20 0.33
HDAC2 Q92769 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL22019347 0.85 ALDH1A1 (0.46) ALDH1A1MAPTLMNARAB9AKDM4E
SCHEMBL13831506 0.83 ALDH1A1 (0.42) ALDH1A1MAPTLMNATSHRGLA
SCHEMBL13831818 0.81 ALDH1A1 (0.42) ALDH1A1MAPTLMNATSHRGLA
SCHEMBL13831838 0.79 HTT (0.42) ALDH1A1MAPTLMNATSHRGLA
SCHEMBL15983335 0.78 TP53 (0.41) ALDH1A1MAPTLMNATSHRGLA
SCHEMBL22018966 0.77 SMN1; SMN2 (0.42) ALDH1A1LMNARAB9AKDM4ETP53
SCHEMBL22019410 0.75 SMN1; SMN2 (0.41) ALDH1A1LMNARAB9AKDM4ETP53
SCHEMBL22019423 0.72
SCHEMBL13831893 0.72 GAA (0.51) ALDH1A1LMNATSHRGLAMAPK1
SCHEMBL13831344 0.70 ALDH1A1 (0.49) ALDH1A1MAPTLMNATSHRMAPK1

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