SCHEMBL29953615

SCHEMBL29953615

O=CC1CCN(CC(=O)NCC2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1I Q9P0X4 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
FOLH1 Q04609 3/20 0.37
GAA P10253 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL27731632 0.82 HTT (0.41) SMN1; SMN2KMT2ALMNATSHRKDM4E
SCHEMBL29957137 0.82 KDM4E (0.42) SMN1; SMN2MEN1KMT2ANPC1LMNA
SCHEMBL2561710 0.79 PKM (0.50) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL2556051 0.79 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL2558914 0.79 KDM4E (0.68) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL2561158 0.78 TLR9 (0.39) SMN1; SMN2NPC1KDM4EALDH1A1TDP1
SCHEMBL29951726 0.78 HTT (0.39) SMN1; SMN2LMNAALOX15TSHRKDM4E
SCHEMBL2560665 0.78 HTT (0.39) SMN1; SMN2KMT2ALMNATSHRKDM4E
SCHEMBL15331209 0.78 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL2554918 0.78 TLR9 (0.38) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1

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