SCHEMBL28917545

SCHEMBL28917545

CNC(SC1CN(C(=O)O)CCC1C)c1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL28590708 0.87 NPC1 (0.35) L3MBTL1NPC1RAB9AGAAHPGD
SCHEMBL28916717 0.81 SMN1; SMN2 (0.33) L3MBTL1NPC1RAB9AGAAHPGD
SCHEMBL28595287 0.79 HTR6 (0.39) NPC1RAB9A
SCHEMBL28595291 0.79 HTR6 (0.39) NPC1RAB9A
SCHEMBL4354349 0.75 L3MBTL1 (0.36) L3MBTL1NPC1RAB9AGAAALDH1A1
SCHEMBL4354359 0.75 CYP3A4 (0.37) L3MBTL1RAB9AGAAALDH1A1USP2
SCHEMBL28916708 0.74 NAMPT (0.36) LMNAPOLB
SCHEMBL28584238 0.71 L3MBTL1 (0.36) L3MBTL1NPC1RAB9AGAAHPGD
SCHEMBL1536043 0.70 ALDH1A1 (0.41) L3MBTL1NPC1RAB9AGAAHPGD
SCHEMBL1536171 0.70 L3MBTL1 (0.50) L3MBTL1GAAHPGDALDH1A1LMNA

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
CN-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed