SCHEMBL23747428

SCHEMBL23747428

COc1ccc(CNC(=O)Nc2ccc(CC=O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.75
NPC1 O15118 5/20 0.72
RAB9A P51151 4/20 0.72
HDAC1 Q13547 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
HTT P42858 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
POLB P06746 2/20 0.65
ROCK2 O75116 1/20 0.61
NAMPT P43490 5/20 0.60
SAE1 Q9UBE0 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
HIF1A Q16665 1/20 0.58
ALDH1A1 P00352 1/20 0.57
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL17916794 0.91 SMN1; SMN2 (0.88) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL23728131 0.88 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL23728203 0.86 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL23747473 0.86 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL9836017 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL16562239 0.84 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
Hydrochloric Acid SCHEMBL26100400 0.84 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL23728118 0.84 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL8175404 0.84 RAB9A (0.89) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL5427744 0.84 NPC1 (1.00) SMN1; SMN2NPC1RAB9AHDAC1HDAC6

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-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed