SCHEMBL22079080

SCHEMBL22079080

CCNc1ccc2c(c1)-c1cc(Br)ccc1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CHEK2 O96017 1/20 0.41
ROS1 P08922 1/20 0.41
MARK3 P27448 1/20 0.41
LTK P29376 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
AURKB Q96GD4 1/20 0.41
PBK Q96KB5 1/20 0.41
STK17A Q9UEE5 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
ADRA2A P08913 3/20 0.37
RAB9A P51151 2/20 0.37
PNMT P11086 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL22079201 0.81 CHEK2 (0.44) MAPTCHEK2ROS1MARK3LTK
SCHEMBL29812691 0.78 CHEK2 (0.57) CHEK2ROS1MARK3LTKFLT4
SCHEMBL3165396 0.78 CHEK2 (0.57) CHEK2ROS1MARK3LTKFLT4
SCHEMBL12117371 0.75 CHEK2 (0.55) CHEK2ROS1MARK3LTKFLT4
SCHEMBL27585673 0.75 RAB9A (0.60) MAPTHTR2CADRA2ARAB9ASLC1A3
SCHEMBL22079053 0.73 RAB9A (0.55) MAPTRAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL3719955 0.73 CYP2A6 (0.45) MAPTADRA2ARAB9AADRA2BADRA2C
SCHEMBL29569917 0.72 METAP1 (0.52) MAPTCHEK2ROS1MARK3LTK
SCHEMBL3129344 0.72 METAP1 (0.52) MAPTCHEK2ROS1MARK3LTK
SCHEMBL28360994 0.72 METAP1 (0.52) MAPTCHEK2ROS1MARK3LTK

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