SCHEMBL29952749

SCHEMBL29952749

NC(=O)CN(c1ccc(C=O)cc1F)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
PARP10 Q53GL7 2/20 0.32
PARP15 Q460N3 1/20 0.32
PLA2G7 Q13093 1/20 0.32
ALDH1A3 P47895 1/20 0.31
TSHR P16473 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
JAK2 O60674 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
SCHEMBL29952265 0.85 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1ALDH1A3TRPM8
SCHEMBL29952046 0.81 JAK2 (0.37) ALDH1A1LMNAMAPK1MAPTJAK2
SCHEMBL29952786 0.79 ALDH1A3 (0.40) ALDH1A1SMN1; SMN2PARP10PLA2G7ALDH1A3
SCHEMBL29952124 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPK1PARP10ALDH1A3
SCHEMBL2554161 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2PLA2G7ALDH1A3TSHR
SCHEMBL2561620 0.74 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2PLA2G7ALDH1A3TSHR
SCHEMBL29954068 0.73 LMNA (0.38) ALDH1A1SMN1; SMN2LMNAMAPK1MAPT
SCHEMBL2558260 0.73 ALDH1A3 (0.38) ALDH1A1SMN1; SMN2MAPTALDH1A3TSHR
SCHEMBL29955126 0.71 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ALDH1A3
SCHEMBL29951670 0.69 MEN1 (0.40) ALDH1A1LMNAMAPK1TSHRTRPM8

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