SCHEMBL2879072

SCHEMBL2879072

CC(C)(C)NC(=O)c1nc(Nc2cccc(Cl)c2)sc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM1A O60341 1/20 0.47
GAA P10253 3/20 0.46
CHRNA7 P36544 1/20 0.45
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPK10 P53779 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNA2 P20248 1/20 0.41

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
SCHEMBL2876797 0.84 MAPT (0.47) MAPTKDM4EALDH1A1KDM1AGAA
SCHEMBL2880884 0.77 KDM1A (0.72) MAPTKDM4EALDH1A1KDM1AGAA
SCHEMBL22716286 0.74 PDGFRB (0.48) MAPTKDM4EALDH1A1KDM1AGAA
SCHEMBL29503733 0.74 PDGFRB (0.48) MAPTKDM4EALDH1A1KDM1AGAA
SCHEMBL2878456 0.71 KDM1A (0.53) MAPTKDM4EALDH1A1KDM1AGAA
SCHEMBL31265602 0.67 USP36 (0.72) MAPTALDH1A1KDM1AGAALMNA
SCHEMBL21116150 0.66 KMT2A (0.71) MAPTALDH1A1GAALMNATP53
SCHEMBL13503326 0.66 CNR2 (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2875526 0.66 ADORA2A (0.47) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL12682447 0.66 MAPT (0.63) MAPTKDM4EGAACYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed