Sugi Predict

Sugi Predict / Compounds / SCHEMBL28779772

SCHEMBL28779772

SCHEMBL28779772

O=C(c1ccc2c(c1)cc(C(=O)N1CCS(O)(O)CC1)n2-c1ccnc(Cl)c1)N1CCN(C2CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.49
▸ KCNH2 Q12809 2/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ L3MBTL3 Q96JM7 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MGLL Q99685 4/20 0.39
▸ FAAH O00519 1/20 0.37

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
SCHEMBL3545283 0.93 HRH3 (0.49) HRH3KCNH2L3MBTL1L3MBTL3KDM4E
SCHEMBL28779773 0.88 HRH3 (0.49) HRH3KCNH2L3MBTL1L3MBTL3KDM4E
SCHEMBL3539281 0.87 HRH3 (0.50) HRH3KCNH2L3MBTL1L3MBTL3KDM4E
SCHEMBL28779785 0.87 L3MBTL1 (0.52) HRH3KCNH2L3MBTL1L3MBTL3KDM4E
SCHEMBL28775838 0.85 L3MBTL1 (0.55) HRH3KCNH2L3MBTL1L3MBTL3KDM4E
SCHEMBL27739853 0.85 HRH3 (0.50) HRH3KCNH2L3MBTL1L3MBTL3KDM4E
SCHEMBL27760290 0.83 HRH3 (0.52) HRH3KCNH2L3MBTL1L3MBTL3KDM4E
SCHEMBL3537803 0.82 L3MBTL3 (0.48) HRH3L3MBTL1L3MBTL3
SCHEMBL27739844 0.81 HRH3 (0.50) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL27760293 0.81 HRH3 (0.52) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1

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-101421235-A 5-amido-2-amide indoles HOFFMANN LA ROCHE (CH) 2009-04-29 — — CN disclosed