SCHEMBL9845157

SCHEMBL9845157

CC(=O)Nc1nc(C(S)c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
GAA P10253 3/20 0.46
HTT P42858 1/20 0.46
DYRK1A Q13627 1/20 0.46
MAPT P10636 4/20 0.44
ADORA3 P0DMS8 1/20 0.43
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7083523 0.79 RAB9A (0.59) RAB9AMEN1KMT2ALMNACSNK2A2
SCHEMBL9621679 0.76 RAB9A (1.00) RAB9AMEN1KMT2ALMNACSNK2A2
SCHEMBL13409103 0.73 RAB9A (0.64) RAB9AMEN1KMT2ALMNACSNK2A2
SCHEMBL21382353 0.73 RAB9A (0.64) RAB9AMEN1KMT2ALMNACSNK2A2
SCHEMBL8934604 0.72 RAB9A (0.62) RAB9AMEN1KMT2ALMNACSNK2A2
SCHEMBL3932546 0.72 RAB9A (0.62) RAB9AMEN1KMT2ALMNACSNK2A2
SCHEMBL9845155 0.72 RAB9A (0.62) RAB9AMEN1KMT2ALMNACSNK2A2
SCHEMBL3932557 0.72 RAB9A (0.62) RAB9AMEN1KMT2ALMNACSNK2A2
SCHEMBL4875352 0.72 RAB9A (0.62) RAB9AMEN1KMT2ALMNACSNK2A2
SCHEMBL3931075 0.71 AOC3 (0.64) RAB9AMEN1KMT2ACSNK2A2CSNK2B

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-0412404-A2 Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-13 EP disclosed