SCHEMBL29955871

SCHEMBL29955871

CON(C)C(=O)c1cc(B(O)O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.36
MLYCD O95822 1/20 0.36
MTOR P42345 3/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ENPP2 Q13822 2/20 0.33
AR P10275 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PIK3CA P42336 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 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
SCHEMBL226335 0.88 PIK3CA (0.39) TRPM8MLYCDMTORCLK1DYRK1A
SCHEMBL15465164 0.84 AR (0.45) MTORARPIK3CACES2CES1
SCHEMBL4007735 0.81 CES2 (0.53) TRPM8MLYCDMTORCLK1DYRK1A
SCHEMBL19285067 0.80 PKM (0.45) MLYCDPKMRAB9ASLC6A3
SCHEMBL12345357 0.80 CA12 (0.42) TRPM8MLYCDMTORCLK1DYRK1A
SCHEMBL29554674 0.80 PKM (0.45) MLYCDPKMRAB9ASLC6A3
SCHEMBL12093236 0.80 MLYCD (0.39) TRPM8MLYCDMTORCLK1DYRK1A
SCHEMBL10909 0.78 ALDH1A1 (0.45) MLYCDMTORCLK1DYRK1ADYRK1B
SCHEMBL12094656 0.78 CLK1 (0.51) CLK1DYRK1ADYRK1BRAB9A
SCHEMBL237491 0.78 ALDH1A1 (0.43) CA1CA2SLC6A3KMT2A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed