SCHEMBL3354699

SCHEMBL3354699

CCOC(=O)c1ccc2ncn(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.53
USP2 O75604 1/20 0.53
RAB9A P51151 1/20 0.53
HCAR1 Q9BXC0 1/20 0.52
GPR119 Q8TDV5 7/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.45
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3352559 0.85 ALDH1A1 (0.53) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL3358563 0.83 ALDH1A1 (0.51) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL15205388 0.82 HCAR1 (0.57) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL6246964 0.79 HCAR1 (0.59) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL21880090 0.79 ALDH1A1 (0.48) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL17092710 0.79 GPR119 (0.47) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL1871066 0.78 HCAR1 (0.54) ALDH1A1MEN1GAAKMT2AHPGD
SCHEMBL17092683 0.77 GPR119 (0.61) ALDH1A1MEN1GAAKMT2AGPR119
SCHEMBL15825020 0.77 HCAR1 (0.52) HCAR1GPR119
SCHEMBL2861894 0.77 SMN1; SMN2 (0.56) ALDH1A1MEN1GAAKMT2AHPGD

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed