SCHEMBL22048699

SCHEMBL22048699

CNc1ccc(Cl)cc1CCC(N)C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
METAP2 P50579 4/20 0.32
METAP1 P53582 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
STAT3 P40763 1/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL19980155 0.83 STAT3 (0.32) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL19980141 0.83 STAT3 (0.32) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL20344524 0.80 KIF11 (0.40) ALDH1A1SLC6A4MEN1KMT2ALMNA
SCHEMBL19980121 0.79 SLC6A2 (0.40) KDM4EALDH1A1GAASLC6A4SLC6A2
SCHEMBL19980350 0.79 SLC6A2 (0.40) KDM4EALDH1A1GAASLC6A4SLC6A2
SCHEMBL21157263 0.77 KDM4E (0.42) KDM4EALDH1A1GLAGAASLC6A4
SCHEMBL20344529 0.77 KMT2A (0.41) ALDH1A1GAASLC6A4SLC6A2SLC6A3
SCHEMBL19980150 0.75
SCHEMBL21156890 0.74 KMT2A (0.38) GAASLC6A4SLC6A2SLC6A3METAP2
SCHEMBL25900006 0.73 KDM4E (0.45) KDM4EALDH1A1GLAGAASLC6A4

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