SCHEMBL30452995

SCHEMBL30452995

Cc1ccc2cc(-c3cnc(C#N)c(OCc4ccccc4)c3C)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.38
STAT3 P40763 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
CNR1 P21554 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PIM1 P11309 1/20 0.36
XDH P47989 1/20 0.36

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
SCHEMBL24257718 1.00 SMN1; SMN2 (0.39) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL24257690 0.89 CNR1 (0.39) CNR1PDE10A
SCHEMBL30452359 0.89 CNR1 (0.39) CNR1PDE10A
SCHEMBL30546879 0.88 HSD17B10 (0.43) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL24257819 0.88 HSD17B10 (0.43) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL24257777 0.84 MAPT (0.42) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL30452976 0.82 NPC1 (0.43) SMN1; SMN2KDM4ETSHRHTTSTAT3
SCHEMBL24257684 0.82 NPC1 (0.43) SMN1; SMN2KDM4ETSHRHTTSTAT3
SCHEMBL24257768 0.81 SQOR (0.42) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
Nitrous Acid SCHEMBL29248926 0.79 NPC1 (0.41) SMN1; SMN2KDM4EHTTSTAT3MEN1

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
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed