SCHEMBL28554392

SCHEMBL28554392

COC(=O)c1c(C(=O)O)ccn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
NR4A2 P43354 2/20 0.40
TSHR P16473 2/20 0.39
BRD4 O60885 1/20 0.39
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL25072433 0.89 KDM4E (0.46) KDM4ENR4A2TSHRBRD4DAPK3
SCHEMBL7853670 0.87 NOTUM (0.37) KDM4ENR4A2TSHRLMNAHSD17B10
SCHEMBL2781478 0.82 NOTUM (0.41) KDM4EHSD17B10HPGDNOTUMHTT
SCHEMBL9723823 0.80 NOTUM (0.40) KDM4EHSD17B10HPGDNOTUMHTT
Ethane SCHEMBL15559374 0.79 ABL1 (0.38) KDM4ETSHRPABPC1EIF4HDAPK3
SCHEMBL9826739 0.77 KDM4E (0.46) KDM4ENR4A2TSHRBRD4DAPK3
SCHEMBL11286998 0.77 KDM4E (0.46) KDM4ENR4A2TSHRBRD4PABPC1
SCHEMBL10940902 0.76 NR4A2 (0.43) KDM4ENR4A2BRD4HPGDALDH1A1
SCHEMBL17700936 0.76 KDM4E (0.45) KDM4ENR4A2TSHRBRD4PABPC1
SCHEMBL22362939 0.76 KDM4E (0.45) KDM4ENR4A2TSHRBRD4PABPC1

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-112661688-B Synthetic method of non-steroidal anti-inflammatory drug tolmetin 杭州迪克科技有限公司 2023-04-07 CN disclosed
CN-112661688-A Synthetic method of non-steroidal anti-inflammatory drug tolmetin 杭州迪克科技有限公司 2021-04-16 CN disclosed