SCHEMBL2878486

SCHEMBL2878486

CC(C)c1sc(Nc2ccccc2)nc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.49
MAPT P10636 11/20 0.48
NPC1 O15118 9/20 0.48
RAB9A P51151 9/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 4/20 0.46
GAA P10253 4/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CCNA2 P20248 2/20 0.45

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
SCHEMBL2878494 0.87 PTGDR2 (0.52) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL2878456 0.86 KDM1A (0.53) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL2875941 0.85 MEN1 (0.51) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL2876115 0.84 MEN1 (0.52) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL2876235 0.82 NPC1 (0.51) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL2878304 0.80 MAPT (0.53) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL16586316 0.80 GAA (0.63) TNIKMAPTNPC1RAB9AHPGD
SCHEMBL2875523 0.77 MAPT (0.48) TNIKMAPTNPC1RAB9AHPGD
SCHEMBL11588464 0.75 RAB9A (0.57) TNIKMAPTNPC1RAB9AHPGD
SCHEMBL16047133 0.73 ALDH1A1 (0.61) TNIKMAPTNPC1RAB9AHPGD

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