SCHEMBL22079624

SCHEMBL22079624

O=CCCC(=O)Nc1ccc2c(c1)-c1cc(Br)ccc1C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NAMPT P43490 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL22079053 0.81 RAB9A (0.55) POLBSLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL22743037 0.77 GAA (0.62) POLBMAPTL3MBTL1KMT2AMEN1
SCHEMBL22079625 0.77 MAPT (0.50) POLBSLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL25601954 0.72 POLB (0.63) POLBSLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL25601967 0.72 POLB (0.63) POLBSLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL7932191 0.71 SLC1A3 (0.65) POLBSLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL29812691 0.69 CHEK2 (0.57) L3MBTL1
SCHEMBL3165396 0.69 CHEK2 (0.57) L3MBTL1
SCHEMBL22079201 0.69 CHEK2 (0.44) SLC1A3SLC1A2SLC1A1RAB9AMAPT
SCHEMBL5359591 0.68 CASP3 (0.57) HPGD

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
WO-2020115076-A2 INSECT CONTROL AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2020-06-11 WO disclosed