SCHEMBL28153189

SCHEMBL28153189

C[C](C)CN1CCCC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.47
PKM P14618 4/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 9/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 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
SCHEMBL1700614 0.87 LMNA (0.50) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL1700370 0.85 MAPT (0.46) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL27906786 0.83 MAPT (0.48) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL28152133 0.82 KMT2A (0.53) MAPTPKMPOLBSMN1; SMN2ALDH1A1
SCHEMBL28845496 0.82 KMT2A (0.53) MAPTPKMPOLBSMN1; SMN2ALDH1A1
SCHEMBL28199068 0.82 KMT2A (0.53) MAPTPKMPOLBSMN1; SMN2ALDH1A1
SCHEMBL28153060 0.81 ALDH3A1 (0.53) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL1541487 0.80 MAPT (0.64) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL1700213 0.79 MAPT (0.51) MAPTPKMPOLBSMN1; SMN2HTT
SCHEMBL16038047 0.79 MAPT (0.61) MAPTPKMPOLBSMN1; SMN2HTT

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