SCHEMBL24724746

SCHEMBL24724746

c1ccc(CNc2nc(NCC3CCCCC3)nc(NC3CC4CCC3C4)n2)cc#1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
HRH4 Q9H3N8 4/20 0.35
IDH1 O75874 2/20 0.35
IDH2 P48735 1/20 0.34
CNR1 P21554 1/20 0.32
IGF1R P08069 2/20 0.31
BRS3 P32247 2/20 0.31
PTGS2 P35354 1/20 0.31
RET P07949 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
VCP P55072 1/20 0.30
TPH1 P17752 1/20 0.30
ENO1 P06733 1/20 0.30

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
SCHEMBL24933040 0.84 LMNA (0.42) CNR2HRH4IDH1VCP
SCHEMBL25868870 0.78 VCP (0.44) CNR2VCPTPH1ENO1
SCHEMBL24724734 0.78 TPH1 (0.39) CNR2HRH4IDH1IDH2CNR1
SCHEMBL24724733 0.77 ALDH1A1 (0.46) CNR2VCPTPH1ENO1
SCHEMBL21479645 0.76 HDAC6 (0.40) CNR2BRS3VCPTPH1ENO1
SCHEMBL23346071 0.76 HDAC6 (0.40) CNR2IDH1IDH2CNR1BRS3
SCHEMBL13607364 0.70 ENO1 (0.55) ENO1
SCHEMBL23386772 0.70 ENO1 (0.55) ENO1
SCHEMBL4829259 0.69 GALR1 (0.58) CNR2IDH1CNR1ENO1
SCHEMBL8054361 0.65 IDH1 (0.46) IDH1IDH2PTGS2RETTPH1

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
WO-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed