SCHEMBL28198503

SCHEMBL28198503

C[C](C)CN1CCOCC1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.50
▸ PKM P14618 5/20 0.50
▸ POLB P06746 2/20 0.47
▸ TDP1 Q9NUW8 5/20 0.46
▸ LMNA P02545 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ GAA P10253 6/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ BCL2L1 Q07817 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL27906761 0.83 MAPT (0.52) MAPTPKMPOLBTDP1LMNA
SCHEMBL1700061 0.80 MAPT (0.47) MAPTPKMPOLBTDP1LMNA
SCHEMBL28533913 0.78 MAPT (0.52) MAPTPKMPOLBTDP1LMNA
SCHEMBL28152133 0.78 KMT2A (0.53) MAPTPKMPOLBTDP1LMNA
SCHEMBL28199068 0.78 KMT2A (0.53) MAPTPKMPOLBTDP1LMNA
SCHEMBL28845496 0.78 KMT2A (0.53) MAPTPKMPOLBTDP1LMNA
SCHEMBL16038843 0.78 MAPT (0.61) MAPTPKMPOLBTDP1LMNA
SCHEMBL1699987 0.77 MAPT (0.60) MAPTPKMPOLBTDP1LMNA
SCHEMBL30075005 0.77 MAPT (0.60) MAPTPKMPOLBTDP1LMNA
SCHEMBL16037476 0.77 MAPT (0.60) MAPTPKMPOLBTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108175749-A The solid dispersions of melt extrusion containing cell death inducer 艾伯维爱尔兰无限公司 2018-06-19 — — CN disclosed
CN-103282025-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2018-01-02 — — CN disclosed
CN-104876927-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2017-06-23 — — CN disclosed
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