SCHEMBL2555441

SCHEMBL2555441

COC(=O)CC(C)C(=O)c1ccc(N)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ F2 P00734 5/20 0.38
▸ F10 P00742 5/20 0.38
▸ PRSS1 P07477 4/20 0.38
▸ PTGER4 P35408 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
SCHEMBL9781450 0.83 LMNA (0.52) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL9734549 0.78 CA1 (0.48) ALDH1A1HSD17B10ATMLMNAL3MBTL1
SCHEMBL13452128 0.77 HDAC1 (0.49) ALDH1A1MAPTLMNAHTTL3MBTL1
SCHEMBL9733728 0.76 ALDH1A1 (0.51) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL9780181 0.76 KCNA5 (0.38) ALDH1A1GAAMAPTHPGDATM
SCHEMBL8535929 0.76 KCNA5 (0.49) ALDH1A1MAPTHPGDLMNAL3MBTL1
SCHEMBL13304072 0.75 HTT (0.55) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL8820375 0.75 MAPT (0.56) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL10696373 0.75 CES2 (0.54) ALDH1A1PRSS1SMN1; SMN2TSHRNPC1
SCHEMBL13410609 0.75 GAA (0.57) LNPEPALDH1A1GAAKDM4EHSD17B10

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-2011124638-A1 PIMOBENDAN MANUFACTURING PROCESS NOVARTIS AG (CH) 2011-10-13 — — WO disclosed
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