SCHEMBL20535063

SCHEMBL20535063

N#CCN1C(=O)c2ccc(NC(=O)c3cccc(N)c3)cc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ RPS6KA2 Q15349 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ POLB P06746 4/20 0.45
▸ ULK1 O75385 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ ACHE P22303 1/20 0.43

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
SCHEMBL20534979 0.87 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1L3MBTL1MEN1
SCHEMBL20535822 0.84 POLB (0.60) ALDH1A1RAB9ANPC1L3MBTL1MEN1
SCHEMBL20535049 0.83 MEN1 (0.58) ALDH1A1RAB9ANPC1L3MBTL1MEN1
SCHEMBL20535966 0.81 MAPT (0.55) ALDH1A1RAB9ANPC1L3MBTL1MEN1
SCHEMBL20535270 0.81 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1L3MBTL1MEN1
SCHEMBL20535272 0.81 TP53 (0.49) ALDH1A1RAB9ANPC1L3MBTL1MEN1
SCHEMBL20535061 0.80 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1L3MBTL1MEN1
SCHEMBL20534830 0.79 MEN1 (0.49) ALDH1A1RAB9ANPC1L3MBTL1MEN1
SCHEMBL20535657 0.77 MEN1 (0.47) ALDH1A1RAB9ANPC1L3MBTL1MEN1
SCHEMBL20534827 0.76 RAB9A (0.69) ALDH1A1RAB9ANPC1MEN1KMT2A

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
WO-2018189679-A1 ISOINDOLINE DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 — — WO claimed
WO-2018189679-A1 ISOINDOLINE DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 — — WO disclosed
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