SCHEMBL27468217

SCHEMBL27468217

CC(C)N1CC(C=O)Nc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD4 P21917 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GFER P55789 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
SCHEMBL27744350 0.85 HTR2A (0.33)
SCHEMBL27465296 0.82 BRD4 (0.40) BRD4MEN1KMT2ALMNA
SCHEMBL27480961 0.77 PGR (0.40)
SCHEMBL27578086 0.77 PDPK1 (0.33)
SCHEMBL27481361 0.76 PGR (0.41) BRD4
SCHEMBL27481747 0.74 ALDH1A1 (0.34) BRD4MEN1KMT2ALMNAPMP22
SCHEMBL27481748 0.72 BRD4 (0.47) BRD4KMT2ALMNA
SCHEMBL23497996 0.70 TSHR (0.32) LMNAPMP22NPSR1GFER
SCHEMBL29744432 0.70 TSHR (0.32) LMNAPMP22NPSR1GFER
SCHEMBL6541587 0.69 KMT2A (0.51) BRD4MEN1KMT2ALMNANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1201820-C Compositions containing benzimidazolones and progestogens WYETH CORP (US) 2005-05-18 CN disclosed
CN-1152020-C Benzimidazolrone and analogues, and the use as ligand of progesterone �Ʒ� 2004-06-02 CN disclosed
CN-1349511-A Benzimidazolrone and analogues, and the use as ligand of progesterone AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
CN-1349411-A Compositions containing benzimidazolones and progestogens AMERICAN HOME PROD (US) 2002-05-15 CN disclosed