SCHEMBL22452882

SCHEMBL22452882

COC(=O)C1(C(=O)N(C)c2ccc(Br)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PGR P06401 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL18542859 0.85 NOTUM (0.37) MEN1KMT2ANOTUMOPRM1MAPT
SCHEMBL18542893 0.85 MEN1 (0.36) MEN1KMT2ANOTUMOPRM1ALDH1A1
SCHEMBL9416784 0.84 LMNA (0.40) MEN1KMT2AOPRM1OPRD1MAPT
SCHEMBL2090069 0.73 MEN1 (0.47) MEN1KMT2ATDP1NOTUMMAPT
SCHEMBL30936910 0.73 ALDH1A1 (0.37) MEN1KMT2ATDP1OPRM1OPRD1
SCHEMBL24680602 0.70 NPSR1 (0.42) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL13580923 0.70 MEN1 (0.45) MEN1KMT2ATDP1NOTUMMAPT
SCHEMBL9416717 0.70 MEN1 (0.48) MEN1KMT2AOPRM1MAPTLMNA
SCHEMBL12550520 0.68 ALDH1A1 (0.49) MEN1KMT2ATDP1MAPTLMNA
SCHEMBL23704985 0.68 HPGD (0.45) MEN1KMT2ATDP1NOTUMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed