SCHEMBL28126362

SCHEMBL28126362

CC(=O)Nc1ccc(C(=O)CC(C)CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
HCAR3 P49019 10/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 3/20 0.47
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 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
SCHEMBL28644813 0.84 KMT2A (0.58) KMT2AHCAR3HTTMAPTNPSR1
SCHEMBL6506088 0.83 KMT2A (0.62) KMT2AHCAR3HTTMAPTNPSR1
SCHEMBL3616520 0.81 KMT2A (0.70) KMT2AHCAR3HTTLMNASMN1; SMN2
SCHEMBL28388705 0.80 KMT2A (0.64) KMT2AHCAR3HTTLMNASMN1; SMN2
SCHEMBL571622 0.80 KMT2A (0.64) KMT2AHCAR3HTTLMNASMN1; SMN2
SCHEMBL3613079 0.79 HCAR3 (0.72) KMT2AHCAR3MAPTNPSR1MEN1
SCHEMBL9197268 0.78 KMT2A (0.62) KMT2AHCAR3HTTLMNAMAPT
SCHEMBL2643864 0.78 KMT2A (0.68) KMT2AHCAR3HTTMAPTNPSR1
SCHEMBL29793669 0.78 KMT2A (0.68) KMT2AHCAR3HTTMAPTNPSR1
SCHEMBL3614454 0.76 KMT2A (0.60) KMT2AHCAR3HTTMAPTNPSR1

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-106518850-A Chemical synthesis method of Pimobendan 青岛农业大学 2017-03-22 CN disclosed