SCHEMBL2875941

SCHEMBL2875941

COc1ccc(Nc2nc(C(=O)O)c(C(C)C)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.51
KMT2A Q03164 10/20 0.51
NPC1 O15118 8/20 0.51
MAPT P10636 9/20 0.49
GAA P10253 4/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.49
LMNA P02545 3/20 0.48
CSNK2A1 P68400 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
DHODH Q02127 1/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.47
NFKB1 P19838 1/20 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
SCHEMBL2876115 0.85 MEN1 (0.52) MEN1KMT2ANPC1MAPTGAA
SCHEMBL2878486 0.85 TNIK (0.49) MEN1KMT2ANPC1MAPTGAA
SCHEMBL2878494 0.84 PTGDR2 (0.52) MEN1KMT2ANPC1MAPTGAA
SCHEMBL2878304 0.78 MAPT (0.53) MEN1KMT2ANPC1MAPTGAA
SCHEMBL12158152 0.75 NPC1 (0.56) MEN1KMT2ANPC1MAPTGAA
SCHEMBL2878456 0.75 KDM1A (0.53) MEN1KMT2ANPC1MAPTGAA
SCHEMBL2366634 0.75 MEN1 (0.64) MEN1KMT2ANPC1MAPTGAA
SCHEMBL1845273 0.74 NPC1 (0.62) MEN1KMT2ANPC1MAPTGAA
SCHEMBL2367066 0.73 TNIK (0.58) MEN1KMT2ANPC1MAPTLMNA
SCHEMBL525597 0.73 CSNK2A1 (0.65) MEN1KMT2ANPC1MAPTGAA

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