SCHEMBL6364965

SCHEMBL6364965

Nc1ccc2c(c1)-c1cc(Br)ccc1C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHEK2 O96017 1/20 0.47
ROS1 P08922 1/20 0.47
MARK3 P27448 1/20 0.47
LTK P29376 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
AURKB Q96GD4 1/20 0.47
PBK Q96KB5 1/20 0.47
STK17A Q9UEE5 1/20 0.47

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
SCHEMBL2522633 0.87 MAPT (0.64) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL3165396 0.87 CHEK2 (0.57) CHEK2ROS1MARK3LTKFLT4
SCHEMBL29812691 0.87 CHEK2 (0.57) CHEK2ROS1MARK3LTKFLT4
SCHEMBL12117371 0.84 CHEK2 (0.55) CHEK2ROS1MARK3LTKFLT4
SCHEMBL666531 0.83 MAPT (0.62) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL29724705 0.80 RAB9A (0.76) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL29569917 0.80 METAP1 (0.52) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL28360994 0.80 METAP1 (0.52) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL3129344 0.80 METAP1 (0.52) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL65503 0.80 RAB9A (0.76) MAPTALDH1A1KDM4ELMNARAB9A

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 2 patents. 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
US-6846953-B1 Aromatic amides WARNER LAMBERT COMPANY (US) 2005-01-25 US disclosed