Sugi Predict

Sugi Predict / Compounds / SCHEMBL27809000

SCHEMBL27809000

SCHEMBL27809000

CC(=O)N1CCN(c2ccc(CCc3cccc(CNN)c3)nc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 17/20 0.82
▸ GFER P55789 1/20 0.49
▸ MET P08581 1/20 0.47
▸ RORC P51449 1/20 0.47

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
SCHEMBL1433685 0.90 AOC3 (1.00) AOC3GFER
SCHEMBL27809030 0.89 AOC3 (0.81) AOC3
Hydrochloric Acid SCHEMBL1434087 0.89 AOC3 (0.98) AOC3GFER
SCHEMBL1433339 0.89 AOC3 (0.74) AOC3RORC
SCHEMBL1432342 0.88 AOC3 (0.81) AOC3
SCHEMBL1432837 0.87 AOC3 (0.72) AOC3GFERRORC
Hydrochloric Acid SCHEMBL2067776 0.87 AOC3 (0.80) AOC3
SCHEMBL1432355 0.86 AOC3 (0.71) AOC3GFERRORC
SCHEMBL1432558 0.85 AOC3 (1.00) AOC3RORC
SCHEMBL2069326 0.85 AOC3 (0.69) AOC3GFERRORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 — — CN claimed
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 — — CN disclosed
CN-102046601-A Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2011-05-04 — — CN disclosed