SCHEMBL22048482

SCHEMBL22048482

CNc1cc(F)ccc1CC[C@@H](C=O)NC(=O)c1nnc(Cc2cccc(F)c2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
SNCA P37840 2/20 0.33
LMNA P02545 1/20 0.33
CTSL P07711 1/20 0.33
MAPT P10636 1/20 0.33
FPR1 P21462 1/20 0.32
BRS3 P32247 1/20 0.32
PARP1 P09874 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL20344607 0.84 ALDH1A1 (0.37) THRBPOLBTP53MAPT
SCHEMBL19980218 0.79 CAPN1 (0.37) POLBCTSL
SCHEMBL19980277 0.74 POLB (0.46) THRBPOLBTP53HCAR2SNCA
SCHEMBL19980297 0.73 CAPN1 (0.33)
SCHEMBL19037430 0.72 CAPN1 (0.36) CTSL
SCHEMBL19659195 0.71 HDAC3 (0.35) THRBPOLBLMNAMAPTFPR1
SCHEMBL22710309 0.69 POLB (0.33) THRBPOLBTP53LMNAMAPT
SCHEMBL22888658 0.68 PDE2A (0.37) POLBMAPT
SCHEMBL22888034 0.68 PDE2A (0.30)
SCHEMBL15964735 0.68 HCAR2 (0.53) THRBPOLBTP53HCAR2LMNA

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-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed