SCHEMBL2876115

SCHEMBL2876115

COc1cccc(Nc2nc(C(=O)O)c(C(C)C)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
MAPT P10636 5/20 0.52
NPC1 O15118 4/20 0.52
HTT P42858 4/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
RAB9A P51151 1/20 0.52
PKM P14618 3/20 0.50
MAPK1 P28482 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL2875941 0.85 MEN1 (0.51) MEN1KMT2AMAPTNPC1HTT
SCHEMBL2878486 0.84 TNIK (0.49) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL2878456 0.83 KDM1A (0.53) MEN1KMT2AMAPTNPC1HTT
SCHEMBL1845273 0.82 NPC1 (0.62) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL4926010 0.78 RAB9A (0.62) MEN1KMT2AMAPTNPC1HTT
SCHEMBL2878494 0.75 PTGDR2 (0.52) MEN1KMT2AMAPTNPC1HTT
SCHEMBL2880577 0.74 SIRT2 (0.49) MEN1KMT2AMAPTNPC1HTT
SCHEMBL4398771 0.73 ADORA2B (0.64) MEN1KMT2AMAPTNPC1HTT
SCHEMBL1845263 0.73 NPC1 (0.62) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL2829369 0.72 KMT2A (0.55) MEN1KMT2AMAPTNPC1HTT

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