SCHEMBL28247139

SCHEMBL28247139

O=C(O)c1cccc2c1CCN(c1ccc([N+](=O)[O-])cc1Cl)C2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.54
▸ MAPT P10636 7/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ LMNA P02545 6/20 0.54
▸ HTT P42858 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ HPGD P15428 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.48
▸ WDR5 P61964 3/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL19230651 0.88 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3025176 0.80 MAPT (0.68) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL11278452 0.74 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL27927947 0.72 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL19230796 0.70 DRD2 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL2530426 0.70 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL2530427 0.70 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL19230794 0.70 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL30109399 0.69 MEN1 (0.63) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL11283392 0.69 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2LMNAHTT

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-108602811-A FXR receptor stimulating agents 山东轩竹医药科技有限公司 2018-09-28 — — CN disclosed
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