SCHEMBL2237368

SCHEMBL2237368

C=C(C)c1ccc2c(c1)CCc1c(C[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O)ncn1-2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ACE P12821 1/20 0.34
BRD4 O60885 8/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
DRD2 P14416 1/20 0.31
MC4R P32245 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL2232980 1.00 MEN1 (0.41) MEN1GAAKMT2APDK1PDK2
SCHEMBL2235169 0.89 MEN1 (0.44) MEN1GAAKMT2APDK1PDK2
SCHEMBL2237252 0.89 MEN1 (0.44) MEN1GAAKMT2APDK1PDK2
SCHEMBL2234628 0.88 MEN1 (0.43) MEN1GAAKMT2APDK1PDK2
SCHEMBL2237078 0.88 MEN1 (0.43) MEN1GAAKMT2APDK1PDK2
SCHEMBL2235325 0.87 MEN1 (0.43) MEN1GAAKMT2AACECYP11B1
SCHEMBL2236721 0.87 MEN1 (0.43) MEN1GAAKMT2APDK1PDK2
SCHEMBL2235434 0.87 MEN1 (0.42) MEN1GAAKMT2APDK1PDK2
SCHEMBL2356132 0.87 MEN1 (0.42) MEN1GAAKMT2AACECYP11B1
SCHEMBL2236787 0.86 MEN1 (0.47) MEN1GAAKMT2AACETDP1

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-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP disclosed