SCHEMBL29951670

SCHEMBL29951670

NC(=O)CN(c1cccc(Cl)c1C=O)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
LMNA P02545 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL29951041 0.79 KMT2A (0.48) MEN1KMT2AALDH1A1TDP1MAPK1
SCHEMBL29954068 0.79 LMNA (0.38) MEN1KMT2AALDH1A1TDP1MAPK1
SCHEMBL29955447 0.77 KMT2A (0.46) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL29952257 0.74 KMT2A (0.42) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL2559520 0.72 RORC (0.41) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL29957441 0.71 ALDH1A1 (0.39) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL29952046 0.70 JAK2 (0.37) ALDH1A1MAPK1SLC6A9SLC6A5LMNA
SCHEMBL29952124 0.70 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPK1HPGD
SCHEMBL29952749 0.69 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRLMNATRPM8
SCHEMBL29952265 0.69 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPK1HPGD

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