SCHEMBL22019637

SCHEMBL22019637

CCn1c(SC(C)(C)C(=O)NC2=CC=CCC2)nnc1C1=CC=NCC1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22018558 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL22018782 0.80 ALDH1A1 (0.49) ALDH1A1HPGD
SCHEMBL22018917 0.77 ALDH1A1 (0.36) ALDH1A1HPGD
SCHEMBL22019356 0.71 ALDH1A1 (0.53) KDM4EALDH1A1RAB9AHSD17B10TDP1
SCHEMBL22019347 0.63 ALDH1A1 (0.46) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL22019409 0.62 ALDH1A1 (0.36) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL22019363 0.62 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10
SCHEMBL22018914 0.61 LMNA (0.44) ALDH1A1
SCHEMBL22019358 0.61 KMT2A (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL13831322 0.60 NPSR1 (0.60) ALDH1A1HPGDRAB9A

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