SCHEMBL23747346

SCHEMBL23747346

COc1ccc(CNC(=O)Nc2ccc(CN3CCN(C)CC3O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 2/20 0.51
NAMPT P43490 4/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.50
CCR3 P51677 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
ROCK2 O75116 1/20 0.48

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
SCHEMBL23747372 0.85 NPC1 (0.58) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL26558192 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL26132646 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL26547229 0.79 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL26098498 0.79 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL26101263 0.79 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL23727723 0.78 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL17916794 0.78 SMN1; SMN2 (0.88) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL23747801 0.78 CCR3 (0.59) SMN1; SMN2NPC1RAB9AHDAC1HDAC6
SCHEMBL23747448 0.77 CHRM1 (0.69) 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