SCHEMBL17993522

SCHEMBL17993522

NC(=O)NNC(=O)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL28427119 0.82 ALDH1A1 (0.55) HTTMAPTKMT2AGAAHPGD
SCHEMBL21597725 0.78
SCHEMBL15296813 0.78
SCHEMBL17154475 0.76 NAMPT (0.47) HTTMAPTKMT2AGAAHPGD
SCHEMBL12323193 0.74 HDAC8 (0.67) HTTMAPTGAAHPGDHDAC8
SCHEMBL20465768 0.73 MAPT (0.63) HTTMAPTKMT2ALMNA
SCHEMBL28376355 0.72 HDAC8 (0.64) HTTMAPTGAAHPGDHDAC8
SCHEMBL12065915 0.72
SCHEMBL31185001 0.72 MAPT (0.61) HTTMAPTGAAHPGDHDAC8
SCHEMBL28509489 0.72 ALDH1A1 (0.59) HTTMAPTGAAHPGDHDAC8

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-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed