SCHEMBL29954068

SCHEMBL29954068

NC(=O)CN(c1ccccc1C=O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 1/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
TRPM8 Q7Z2W7 2/20 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
SCHEMBL29952046 0.82 JAK2 (0.37) LMNAALDH1A1MAPK1MAPTPTGDR2
SCHEMBL29951670 0.79 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL29955172 0.77 TDP1 (0.41) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7371438 0.76 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL2557425 0.75 MEN1 (0.40) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL14398071 0.75 KDM4E (0.44) MEN1KMT2AALDH1A1KDM4E
SCHEMBL29952124 0.74 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL29952265 0.73 ALDH1A1 (0.37) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL29955001 0.73 S1PR1 (0.39) LMNAMEN1KMT2AALDH1A1NPC1
SCHEMBL29952749 0.73 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2TSHRMAPK1

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