SCHEMBL23388931

SCHEMBL23388931

CC1(C(=O)N(N)C(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc2)CCCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.38
▸ TAS2R14 Q9NYV8 6/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34

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
SCHEMBL29888201 0.83 RXFP1 (0.42) MAPK8RXFP1TAS2R14AKR1C3AKR1C2
SCHEMBL23388810 0.83 RXFP1 (0.42) MAPK8RXFP1TAS2R14AKR1C3AKR1C2
SCHEMBL22571385 0.77 RXFP1 (0.43) MAPK8RXFP1TAS2R14AKR1C3AKR1C2
SCHEMBL23388914 0.76 JAK2 (0.39) AURKAAURKBMAPTJAK2JAK1
SCHEMBL22556550 0.73 TAS2R14 (0.44) MAPK8RXFP1TAS2R14AKR1C3AKR1C2
SCHEMBL23423242 0.73 LMNA (0.45) PTGS1MEN1MAPTRAB9AKMT2A
SCHEMBL29888273 0.73 POLB (0.41) PTGS1MEN1MAPTHTTRAB9A
SCHEMBL23389117 0.73 POLB (0.41) PTGS1MEN1MAPTHTTRAB9A
SCHEMBL23388930 0.69 EPHX2 (0.41) MAPK8RXFP1TAS2R14AKR1C3AKR1C2
SCHEMBL30323356 0.69 TLR7 (0.43) RXFP1AURKAAURKBJAK2JAK1

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-2021102204-A1 HETEROARYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2021-05-27 — — WO disclosed
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