SCHEMBL28513784

SCHEMBL28513784

NC(=O)OC1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.61
MAPT P10636 1/20 0.61
HSD11B1 P28845 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
HSD17B10 Q99714 2/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.54
PHGDH O43175 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL28171807 0.86 HSD11B1 (0.63) MGLLHSD11B1KMT2AMEN1POLB
SCHEMBL28504433 0.82 POLB (0.66) MGLLHSD11B1KMT2APOLBALDH1A1
SCHEMBL1805653 0.82 PARP10 (0.58) MGLLMAPTKMT2AMEN1ALDH1A1
SCHEMBL1806630 0.82 HRH3 (0.64) MGLLMAPTKMT2AMEN1ALDH1A1
SCHEMBL28422447 0.81 HTT (0.47) MGLLMAPTHSD11B1KMT2AMEN1
SCHEMBL28171808 0.81 EPHX2 (0.54) HSD11B1ALDH1A1
SCHEMBL647507 0.81 MGLL (0.69) MGLLMAPTHSD11B1KMT2AMEN1
SCHEMBL12188726 0.80 MGLL (0.67) MGLLMAPTKMT2AMEN1ALDH1A1
SCHEMBL28510717 0.80 MEN1 (0.49) MAPTKMT2AMEN1HSD17B10GLA
SCHEMBL28753553 0.80 MGLL (0.52) MGLLMAPTHSD11B1KMT2AMEN1

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
CN-107226808-B Tankyrase inhibitors 北京四环制药有限公司 2021-01-01 CN disclosed