SCHEMBL16615748

SCHEMBL16615748

C=C/C(=C\C)n1ncc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 2/20 0.46
HSP90AA1 P07900 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SPR P35270 2/20 0.45
TSHR P16473 4/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CFTR P13569 1/20 0.38
KCNA5 P22460 1/20 0.37

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
SCHEMBL16615523 0.75 ALDH1A1 (0.72) ALDH1A1MAPTMAPK1HSP90AA1NPSR1
SCHEMBL295841 0.65 LMNA (0.53) ALDH1A1MAPTNPSR1TSHRKDM4E
SCHEMBL3596109 0.64 TSHR (0.54) ALDH1A1MAPTMAPK1TSHRKDM4E
SCHEMBL29370283 0.63 TSHR (0.71) ALDH1A1MAPTMAPK1TSHRKDM4E
SCHEMBL12172745 0.63 TSHR (0.71) ALDH1A1MAPTMAPK1TSHRKDM4E
SCHEMBL286790 0.62 LMNA (0.64) ALDH1A1MAPK1TSHRTDP1
SCHEMBL5147891 0.62 LMNA (0.58) ALDH1A1MAPK1NPSR1TSHRKDM4E
SCHEMBL12863501 0.62 LMNA (0.46) ALDH1A1MAPTMAPK1NPSR1TSHR
SCHEMBL5355058 0.62 TSHR (0.66) ALDH1A1MAPTMAPK1TSHRKDM4E
SCHEMBL8359492 0.62 KMT2A (0.76) ALDH1A1MAPTTSHRKDM4ETDP1

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
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 WO disclosed