SCHEMBL19629948

SCHEMBL19629948

CN1C(=O)C(C)(C)c2ccc(F)c(Br)c21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.41
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SLC6A2 P23975 5/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
SLC6A4 P31645 3/20 0.32
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30

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
SCHEMBL19629851 0.80 PGR (0.39) PGRMEN1KMT2ASLC6A2SLC6A4
SCHEMBL29728155 0.78 PGR (0.40) PGRMEN1KMT2ASLC6A2SLC6A4
SCHEMBL19617204 0.78 PGR (0.40) PGRMEN1KMT2ASLC6A2SLC6A4
SCHEMBL4805389 0.76 SLC6A2 (0.47) PGRMEN1KMT2ASLC6A2SLC6A4
SCHEMBL16324464 0.75 PGR (0.34) PGRMEN1KMT2APDE4APDE4B
SCHEMBL18850723 0.75 PGR (0.39) PGRMEN1KMT2ASLC6A2PDE4A
SCHEMBL15578891 0.75 PGR (0.39) PGRMEN1KMT2ASLC6A2PDE4A
SCHEMBL15578711 0.73 PGR (0.39) PGRMEN1KMT2A
SCHEMBL4804347 0.73 PGR (0.50) PGRMEN1KMT2APDE4APDE4B
SCHEMBL836635 0.72 PGR (0.36) PGRMEN1KMT2ASLC6A2PDE4A

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-3458452-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RES INC (US) 2023-08-30 EP disclosed
WO-2017199265-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RESEARCH INDIA PVT LTD (IN) 2017-11-23 WO disclosed