SCHEMBL22558023

SCHEMBL22558023

CCOC(=O)c1c(Br)nn(-c2ncccc2Cl)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.54
KDM4E B2RXH2 2/20 0.51
PDE4D Q08499 6/20 0.46
ALDH1A1 P00352 4/20 0.42
P2RY12 Q9H244 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL29437212 1.00 PDE4B (0.54) PDE4BKDM4EPDE4DALDH1A1P2RY12
SCHEMBL29437215 1.00 PDE4B (0.54) PDE4BKDM4EPDE4DALDH1A1P2RY12
SCHEMBL22558028 0.85 LMNA (0.40) PDE4BKDM4ELMNAGAAHSD11B1
SCHEMBL29437214 0.85 LMNA (0.40) PDE4BKDM4ELMNAGAAHSD11B1
SCHEMBL29173091 0.83 PDE4B (0.41) PDE4BKDM4EALDH1A1MAPTHSD11B1
SCHEMBL1762554 0.80 ALDH1A1 (0.47) PDE4BKDM4EALDH1A1MAPTHSD11B1
SCHEMBL29372796 0.80 ALDH1A1 (0.47) PDE4BKDM4EALDH1A1MAPTHSD11B1
SCHEMBL22558034 0.77 RAB9A (0.53) PDE4BALDH1A1MAPTLMNAHSD11B1
SCHEMBL951462 0.77 SMN1; SMN2 (0.52) PDE4BKDM4EALDH1A1MAPTHSD11B1
SCHEMBL29558577 0.77 ALDH1A1 (0.48) PDE4BKDM4EALDH1A1MAPTHSD11B1

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
EP-3956314-A1 PREPARATION OF SUBSTITUTED PYRAZOLES AND THEIR USE AS ANTHRANILAMIDES PRECURSORS Adama Makhteshim Ltd. (IL) 2022-02-23 EP disclosed
WO-2020212991-A1 PREPARATION OF SUBSTITUTED PYRAZOLES AND THEIR USE AS ANTHRANILAMIDES PRECURSORS ADAMA MAKHTESHIM LTD. (IL) 2020-10-22 WO disclosed