SCHEMBL29956563

SCHEMBL29956563

OB(O)c1cccc(NC2CCCCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.55
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
MAP4K4 O95819 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CACNA1B Q00975 2/20 0.40
APBA1 Q02410 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
CNR1 P21554 1/20 0.39
SYK P43405 1/20 0.39
CNR2 P34972 1/20 0.39
NUDT1 P36639 1/20 0.39
HCAR3 P49019 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL29958285 0.98 CTSK (0.53) CTSKKDM4ELMNAMAP4K4SMN1; SMN2
SCHEMBL29957838 0.95 CTSK (0.49) CTSKKDM4ELMNAMAP4K4SMN1; SMN2
SCHEMBL29951353 0.92 CTSK (0.44) CTSKMAP4K4KMT2AMEN1ALDH1A1
SCHEMBL29955535 0.75 CNR2 (0.44) SYKCNR2
SCHEMBL29632510 0.75 CTSK (0.59) CTSKKDM4ELMNAMAP4K4SMN1; SMN2
SCHEMBL29632728 0.75 CTSK (0.59) CTSKKDM4ELMNAMAP4K4SMN1; SMN2
SCHEMBL13915436 0.73 ALDH1A1 (0.60) CTSKKDM4ELMNAMAP4K4SMN1; SMN2
SCHEMBL16334530 0.73 CTSK (0.57) CTSKKDM4ELMNAMAP4K4SMN1; SMN2
SCHEMBL29956132 0.73 CNR2 (0.42) LMNASMN1; SMN2SYKCNR2
SCHEMBL4067162 0.70 CTSK (0.50) CTSKKDM4ELMNAMAP4K4SMN1; SMN2

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