SCHEMBL2550000

SCHEMBL2550000

O=NN1CCCCCC1OC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 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
SCHEMBL10412809 0.76 CHRM2 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL25440282 0.73 HSD11B1 (0.31) HSD11B1HTTALDH1A1TSHRHPGD
SCHEMBL2522460 0.72 L3MBTL1 (0.36) HTTALDH1A1
SCHEMBL2788345 0.72 CHRNB2 (0.33) HTTALDH1A1
SCHEMBL7260646 0.72 ALDH1A1 (0.32) HSD11B1ALDH1A1
SCHEMBL17629524 0.72 CHRNB2 (0.33) HTTALDH1A1
SCHEMBL7261158 0.71 THRB (0.39) ALDH1A1MEN1KMT2AHPGD
SCHEMBL7261874 0.70 MIF (0.45) ALDH1A1KMT2AHPGD
SCHEMBL2928932 0.69 ALDH1A1 (0.36) HTTALDH1A1
SCHEMBL2928936 0.69 ALDH1A1 (0.36) HTTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556073-B1 BICYCLIC PYRIDINYL PYRAZOLES BAYER IP GMBH (DE) 2014-07-23 EP disclosed
EP-2556073-A1 BICYCLIC PYRIMIDINYL PYRAZOLES Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
WO-2011124539-A1 BICYCLIC PYRIMIDINYL PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-10-13 WO disclosed