SCHEMBL23747838

SCHEMBL23747838

CCN(Cc1ccc(NC(=O)NCc2ccc(OC)cc2)cc1)C(C)=O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
NPC1 O15118 5/20 0.63
RAB9A P51151 4/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HDAC1 Q13547 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HTT P42858 1/20 0.58
POLB P06746 1/20 0.57
ROCK2 O75116 1/20 0.55
NAMPT P43490 3/20 0.54
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
LSS P48449 1/20 0.51
HIF1A Q16665 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL23747594 0.91 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23747481 0.86 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23747405 0.85 LSS (0.70) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL23747454 0.85 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17916794 0.84 SMN1; SMN2 (0.88) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23747485 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23747408 0.82 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23747822 0.80 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23747392 0.80 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18960618 0.80 HDAC1 (0.76) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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