SCHEMBL573094

SCHEMBL573094

O=CC[C@H]1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ GAA P10253 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAPK1 P28482 4/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HCAR3 P49019 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PSMD14 O00487 1/20 0.35
▸ GRK6 P43250 1/20 0.35

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
SCHEMBL573095 1.00 MAPT (0.47) MAPTGAAGLAMAPK1CYP1A2
SCHEMBL19858275 0.82 MAPT (0.49) MAPTGAAGLAMAPK1CYP1A2
SCHEMBL572882 0.81 SMYD3 (0.34) MAPTGAAKDM4E
SCHEMBL572881 0.81 SMYD3 (0.34) MAPTGAAKDM4E
SCHEMBL572524 0.80 MAPT (0.48) MAPTGAAGLAMAPK1CYP1A2
SCHEMBL573093 0.80 MAPT (0.48) MAPTGAAGLAMAPK1CYP1A2
SCHEMBL572525 0.80 MAPT (0.48) MAPTGAAGLAMAPK1CYP1A2
SCHEMBL15192555 0.80 MAPT (0.48) MAPTGAAGLAMAPK1CYP1A2
SCHEMBL572680 0.77 MAPT (0.46) MAPTGAAGLAMAPK1CYP1A2
SCHEMBL572679 0.77 MAPT (0.46) MAPTGAAGLAMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 — — EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 — — WO disclosed
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