SCHEMBL23727730

SCHEMBL23727730

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

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
FPR2 P25090 4/20 0.72
NPC1 O15118 4/20 0.71
RAB9A P51151 3/20 0.71
CNR1 P21554 1/20 0.69
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HTT P42858 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
POLB P06746 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
ROCK2 O75116 1/20 0.58
HIF1A Q16665 1/20 0.57
NAMPT P43490 1/20 0.57
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 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
SCHEMBL16562079 0.88 FPR2 (0.86) SMN1; SMN2FPR2NPC1RAB9ACNR1
SCHEMBL17916794 0.88 SMN1; SMN2 (0.88) SMN1; SMN2FPR2NPC1RAB9ACNR1
SCHEMBL19472787 0.85 FPR2 (0.78) SMN1; SMN2FPR2NPC1RAB9ACNR1
SCHEMBL9836017 0.85 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4583404 0.85 SMN1; SMN2 (0.75) SMN1; SMN2FPR2NPC1RAB9AKMT2A
SCHEMBL8175404 0.84 RAB9A (0.89) SMN1; SMN2FPR2NPC1RAB9AMEN1
SCHEMBL5427744 0.84 NPC1 (1.00) SMN1; SMN2FPR2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL23728256 0.83 SMN1; SMN2 (0.71) SMN1; SMN2FPR2NPC1RAB9ACNR1
SCHEMBL19472664 0.83 FPR2 (0.78) SMN1; SMN2FPR2NPC1RAB9ACNR1
SCHEMBL23728269 0.83 POLB (0.81) SMN1; SMN2FPR2NPC1RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed