SCHEMBL352608

SCHEMBL352608

CCC(=O)N(C)c1nsc2cccc(C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
MAPT P10636 6/20 0.34
KDM4E B2RXH2 1/20 0.34
POLQ O75417 1/20 0.33
POLB P06746 1/20 0.33
AURKA O14965 1/20 0.33
ROCK2 O75116 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
RPS6KB1 P23443 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
RPS6KA3 P51812 1/20 0.33
ROCK1 Q13464 1/20 0.33
AURKB Q96GD4 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 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
SCHEMBL10167447 0.85 ALDH1A1 (0.40) GAAMAPTKDM4EPOLBKMT2A
SCHEMBL10167501 0.83 KCNA5 (0.40) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL10167484 0.79 HCRTR1 (0.35) GAAMAPTKDM4EPOLBMEN1
SCHEMBL10167449 0.75 ALDH1A1 (0.38) GAAMAPTKDM4EPOLBHTT
SCHEMBL10167562 0.74 ALDH1A1 (0.45) MAPTKDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL352076 0.73 HTR2C (0.34) GAAMAPTKDM4EPOLBMEN1
SCHEMBL10167507 0.73 KDM4E (0.40) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL355455 0.71 ALDH1A1 (0.38) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL10167456 0.70 ALDH1A1 (0.39) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL22423693 0.70 SCN4A (0.44) GAAMAPTMEN1KMT2AMAPK1

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-2064196-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2012-03-14 EP disclosed