SCHEMBL30152052

SCHEMBL30152052

CCCCOC(=O)Nc1nc(N2CCN(C)CC2)ns1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 5/20 0.46
TSHR P16473 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAT1 P42224 1/20 0.44
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 3/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9564494 0.68 ALDH1A1 (0.49) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL10840036 0.66 TSHR (0.48) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL29741801 0.66 L3MBTL1 (0.41) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL8572316 0.66 TSHR (0.57) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL994563 0.66 RAB9A (0.55) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL10809546 0.65 L3MBTL1 (1.00) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL3778015 0.64 TSHR (0.68) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL2654505 0.64 L3MBTL1 (0.59) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL7772250 0.63 RAB9A (0.49) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL2907201 0.63 RAB9A (0.49) L3MBTL1RAB9ATSHRSMN1; SMN2NPC1

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-4377298-A1 PROTEIN SECRETION INHIBITORS Gate Bioscience, Inc. (US) 2024-06-05 EP disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed