SCHEMBL30189262

SCHEMBL30189262

COc1n[nH]c2cc(C(=O)O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 8/20 0.47
MAPK1 P28482 6/20 0.47
MAPK6 Q16659 4/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MAPKAPK5 Q8IW41 1/20 0.44
MAPKAPK3 Q16644 2/20 0.43
DYRK1A Q13627 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
ITK Q08881 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL2671667 1.00 MAP2K4 (0.47) MAP2K4MAPK1MAPK6CA12CA1
SCHEMBL2671776 0.88 MAP2K4 (0.50) MAP2K4MAPK1MAPK6CA12CA1
SCHEMBL30189210 0.88 MAP2K4 (0.50) MAP2K4MAPK1MAPK6CA12CA1
SCHEMBL4137466 0.84 ACACB (0.44) MAP2K4MAPK1ACACBACACARAB9A
SCHEMBL4402972 0.84 MEN1 (0.45) MAP2K4MAPK1KDM4ETDP1ACACB
SCHEMBL1144879 0.79 DYRK1A (0.52) MAP2K4MAPK1MAPK6MAPKAPK5MAPKAPK3
SCHEMBL31746650 0.79 DYRK1A (0.52) MAP2K4MAPK1MAPK6MAPKAPK5MAPKAPK3
SCHEMBL14038753 0.79 KDR (0.41) MAPK1
SCHEMBL1574004 0.77 MAP2K4 (0.59) MAP2K4MAPK1MAPK6CA12CA1
SCHEMBL922195 0.77 PDPK1 (0.53) MAP2K4MAPK1MAPK6MAPKAPK5ITK

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-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 EP disclosed