SCHEMBL27809176

SCHEMBL27809176

CCOC(=O)CC(=O)OCc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.56
GAA P10253 3/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
PPID Q08752 1/20 0.49
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.45
CYP19A1 P11511 3/20 0.44
PKM P14618 1/20 0.44
CYP17A1 P05093 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CDC7 O00311 3/20 0.43
DBF4 Q9UBU7 3/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL28997377 0.91 POLB (0.53) NAMPTPOLBKMT2ACYP19A1CYP17A1
SCHEMBL21652695 0.87 MGAM (0.62) GAAMGAMSIMGAM2PPID
SCHEMBL9867427 0.84 POLB (0.47) NAMPTTSHRPOLBKMT2ACYP19A1
SCHEMBL6443516 0.84 NAMPT (0.49) NAMPTPOLBKMT2ACYP19A1CYP17A1
SCHEMBL28997380 0.82 POLB (0.53) NAMPTGAAPOLBKMT2ACYP19A1
SCHEMBL1557559 0.82 ALDH1A1 (0.61) GAAMGAMSIMGAM2PPID
SCHEMBL1617976 0.81 CYP19A1 (0.49) NAMPTGAAMGAMSIMGAM2
SCHEMBL19308459 0.81 NAMPT (0.47) NAMPTPOLBKMT2ACYP19A1CYP17A1
SCHEMBL304656 0.80 CYP19A1 (0.63) NAMPTPPIDTSHRCYP19A1MAPT
SCHEMBL19439087 0.79 PPID (0.57) GAAMGAMSIMGAM2PPID

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
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN disclosed
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN disclosed