SCHEMBL21242644

SCHEMBL21242644

Cc1cc(C)c(=O)[nH]c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
PDPK1 O15530 1/20 0.35
ATAD2 Q6PL18 2/20 0.34
MAPT P10636 1/20 0.34
MAP2 P11137 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL31639180 0.84 PDPK1 (0.41) BRD4KDM4EGAAHPGDHSD17B10
SCHEMBL17362522 0.82 MAP2K1 (0.40) KDM4EGAAHPGDHSD17B10GRIN2D
SCHEMBL21242333 0.82 HSD17B10 (0.34) BRD4KDM4EGAAHPGDHSD17B10
SCHEMBL17883332 0.78 ALDH1A1 (0.38) BRD4PDPK1MAPTMAP2ALDH1A1
SCHEMBL31502285 0.71 CAPN1 (0.46) BRD4PDPK1MAPTMAP2JAK2
SCHEMBL30317842 0.71 SLC9A1 (0.36) BRD4PDPK1MAP2CCNCCDK8
SCHEMBL17178597 0.69 GRIN2D (0.42) BRD4KDM4EGAAHPGDHSD17B10
SCHEMBL15478582 0.67 HSD17B10 (0.56) BRD4KDM4EGAAHPGDHSD17B10
SCHEMBL31502297 0.67 KDM4E (0.43) BRD4KDM4EGAAHPGDHSD17B10
SCHEMBL21543996 0.65 ALDH1A1 (0.59) KDM4EGAAMAPTALDH1A1POLB

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-3521289-A1 MNK INHIBITORS AND METHODS RELATED THERETO Effector Therapeutics Inc. (US) 2019-08-07 EP disclosed