SCHEMBL8489146

SCHEMBL8489146

Cc1nc2cc(Cl)c(CBr)cc2c(=O)n1C(C)OC(=O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NAMPT P43490 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL8489042 0.80 GAA (0.40) SMN1; SMN2NPC1LMNAMAPTALDH1A1
SCHEMBL8489148 0.78 GAA (0.52) SMN1; SMN2NPC1LMNAMAPTALDH1A1
SCHEMBL5734450 0.69 POLB (0.41) SMN1; SMN2NPC1LMNAMAPTALDH1A1
Bromide SCHEMBL5734269 0.68 POLB (0.41) SMN1; SMN2NPC1LMNAMAPTALDH1A1
SCHEMBL7427899 0.68 POLB (0.41) SMN1; SMN2NPC1LMNAMAPTALDH1A1
SCHEMBL8485814 0.66 GAA (0.43) SMN1; SMN2NPC1LMNAMAPTALDH1A1
SCHEMBL6579962 0.66 L3MBTL1 (0.39) ALDH1A1NAMPT
SCHEMBL833262 0.62 IDO1 (0.34) LMNAMAPTALDH1A1POLB
SCHEMBL6584578 0.62 KDM4E (0.42) NPC1LMNAMAPTALDH1A1POLB
SCHEMBL8485856 0.62 GAA (0.43) SMN1; SMN2NPC1LMNAMAPTALDH1A1

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
US-5955463-A ANTITUMOR, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-09-21 US disclosed