SCHEMBL28171807

SCHEMBL28171807

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.63
PARP10 Q53GL7 1/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MGLL Q99685 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 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
SCHEMBL28513784 0.86 MGLL (0.61) HSD11B1ALDH1A1MEN1KMT2AMGLL
SCHEMBL28504433 0.84 POLB (0.66) HSD11B1ALDH1A1KMT2AMGLLPOLB
SCHEMBL1809345 0.83 ADRB2 (0.71) HSD11B1PARP10KDM4EALDH1A1L3MBTL1
SCHEMBL16333619 0.83 HSD11B1 (0.74) HSD11B1KDM4EALDH1A1KMT2AMGLL
SCHEMBL28422447 0.82 HTT (0.47) HSD11B1PARP10ALDH1A1L3MBTL1MEN1
SCHEMBL28171808 0.82 EPHX2 (0.54) HSD11B1ALDH1A1EPHX2
SCHEMBL4399941 0.82 HSD11B1 (0.69) HSD11B1PARP10KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4617268 0.81 HSD11B1 (0.67) HSD11B1PARP10KDM4EALDH1A1L3MBTL1
SCHEMBL30967272 0.80 HSD11B1 (0.71) HSD11B1KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL6985975 0.79 CA12 (0.71) HSD11B1KDM4EALDH1A1L3MBTL1MEN1

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-107226808-B Tankyrase inhibitors 北京四环制药有限公司 2021-01-01 CN disclosed
CN-107226808-A Tankyrase inhibitor 山东轩竹医药科技有限公司 2017-10-03 CN disclosed