SCHEMBL31056845

SCHEMBL31056845

COC(=O)c1ccc(C2CN(C(=O)OCc3ccccc3)CCCN2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PDE4B Q07343 2/20 0.46
HTT P42858 1/20 0.44
USP30 Q70CQ3 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
TMEM97 Q5BJF2 1/20 0.41

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
Hydrochloric Acid SCHEMBL31056645 0.99 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL31056469 0.82 TMEM97 (0.44) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL4781078 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL31269614 0.81 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL31056541 0.81 TMEM97 (0.44) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL7802330 0.80 HTR2C (0.55) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL31056879 0.80 TMEM97 (0.44) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL20299628 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL1673785 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APDE4BHTT
SCHEMBL24835123 0.78 MEN1 (0.50) SMN1; SMN2MEN1KMT2A

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed