SCHEMBL30059622

SCHEMBL30059622

CC(=O)N(CC1CC1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.33
HIF1A Q16665 4/20 0.33
ESR2 Q92731 1/20 0.33
LIPG Q9Y5X9 2/20 0.33
LPL P06858 1/20 0.33
F11 P03951 2/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL30058336 0.84 AAK1 (0.37) ROCK1HIF1ALIPGLPLF11
SCHEMBL30057793 0.84 ROCK1 (0.43) ROCK1HIF1ALIPGLPLF11
SCHEMBL24685618 0.84 AAK1 (0.37) ROCK1HIF1ALIPGLPLF11
SCHEMBL24685032 0.80 HIF1A (0.36) ROCK1HIF1ALIPGLPLF11
SCHEMBL24976747 0.79 FSCN1 (0.35) ROCK1HIF1AESR2LIPGLPL
SCHEMBL2427133 0.71 ESR2 (0.38) ROCK1HIF1AESR2LIPGLPL
SCHEMBL14764058 0.71 XDH (0.41)
SCHEMBL18339643 0.71 ESR2 (0.33) ESR2LIPGLPL
SCHEMBL28576949 0.69 HIF1A (0.40) ROCK1HIF1AESR2LIPGLPL
SCHEMBL14771879 0.69 XDH (0.40)

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-4337639-A1 NAMPT INHIBITORS AND USES THEREOF Remedy Plan, Inc. (US) 2024-03-20 EP disclosed
WO-2022241257-A1 NAMPT INHBITORS AND USES THEREOF REMEDY PLAN, INC. (US) 2022-11-17 WO disclosed