SCHEMBL9130553

SCHEMBL9130553

CCOC(=O)COc1ccc(C(=O)Nc2ccccc2S(=O)(=O)c2ccccc2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 1/20 0.56
NLRP3 Q96P20 1/20 0.51
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 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
SCHEMBL9130995 0.90 L3MBTL1 (0.45) LMNAPOLBMAPTNLRP3GAA
SCHEMBL9131666 0.88 PLK1 (0.46) LMNAPOLBMAPTNLRP3MEN1
SCHEMBL9130515 0.82 LMNA (0.58) LMNAPOLBMAPTNLRP3GAA
SCHEMBL9129497 0.82 LMNA (0.57) LMNAPOLBMAPTNLRP3GAA
SCHEMBL9132201 0.80 PLK1 (0.47) LMNAPOLBMEN1KMT2ARAB9A
SCHEMBL9131340 0.80 LMNA (0.55) LMNAPOLBMAPTNLRP3GAA
SCHEMBL9130510 0.79 LMNA (0.47) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL9128707 0.78 MAPT (0.50) LMNAPOLBMAPTGAANPSR1
SCHEMBL9130894 0.77 LMNA (0.59) LMNAPOLBMAPTNLRP3MEN1
SCHEMBL9713765 0.73 LMNA (0.52) LMNAPOLBMAPTMEN1KMT2A

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
US-5399703-A Antiallergens NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-03-21 US disclosed
EP-0536400-A1 TETRAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-14 EP disclosed