SCHEMBL30632909

SCHEMBL30632909

FC(F)(F)c1ccccc1C=Cc1ncco1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ NFE2L2 Q16236 7/20 0.41
▸ TNF P01375 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ MAOB P27338 4/20 0.39
▸ P4HB P07237 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ NOTUM Q6P988 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ BACE1 P56817 1/20 0.36

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
SCHEMBL30632963 0.79 NFE2L2 (0.55) NFKB1NFE2L2RAB9A
SCHEMBL30632929 0.76 MAPT (0.53) NFKB1NFE2L2RAB9A
SCHEMBL30632983 0.74 NAPRT (0.36) NFE2L2RAB9A
SCHEMBL15870902 0.73 — —
SCHEMBL28473621 0.72 CYP1A1 (0.37) NFE2L2BACE1
SCHEMBL29937227 0.71 AHR (0.45) —
SCHEMBL2278846 0.71 GRM4 (0.44) NFE2L2RAB9AMAOB
SCHEMBL2278845 0.71 GRM4 (0.44) NFE2L2RAB9AMAOB
SCHEMBL6593788 0.70 TNF (0.48) NFKB1LMNANFE2L2TNFRAB9A
SCHEMBL6593793 0.70 TNF (0.48) NFKB1LMNANFE2L2TNFRAB9A

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-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 — — CN disclosed
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