SCHEMBL790385

SCHEMBL790385

COc1cc(C(=O)N2CC[C@H](O)C2)ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.60
▸ GLA P06280 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ PDK2 Q15119 1/20 0.48
▸ GRM3 Q14832 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ PDE4B Q07343 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9997035 0.92 KMT2A (0.55) LRRK2GLAKMT2ALMNAGRM3
SCHEMBL9996788 0.89 GLA (0.51) LRRK2GLAKMT2ALMNAPDK2
SCHEMBL9028457 0.88 LMNA (0.62) LRRK2LMNAALDH1A1KDM4E
SCHEMBL15651433 0.85 HSD11B1 (0.54) LRRK2LMNAPDK2GRM3ALDH1A1
SCHEMBL15650487 0.85 HSD11B1 (0.54) LRRK2LMNAPDK2GRM3ALDH1A1
SCHEMBL14068213 0.85 HSD11B1 (0.54) LRRK2LMNAPDK2GRM3ALDH1A1
SCHEMBL9996943 0.81 GLA (0.51) GLAKMT2ALMNAALDH1A1PKM
SCHEMBL30602435 0.81 HPGD (0.60) GLAKMT2ALMNAALDH1A1
SCHEMBL15020081 0.81 HPGD (0.64) GLAKMT2ALMNAALDH1A1
SCHEMBL9997000 0.81 HPGD (0.60) GLAKMT2ALMNAALDH1A1

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
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