SCHEMBL7527409

SCHEMBL7527409

[CH2]CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
PKM P14618 1/20 0.71
ALDH1A1 P00352 8/20 0.68
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
KDM4E B2RXH2 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL2360974 0.88 ALDH1A1 (0.84) POLBPKMALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6094287 0.84 POLB (0.69) POLBPKMALDH1A1KMT2AMEN1
SCHEMBL5347059 0.82 ALDH1A1 (0.97) POLBPKMALDH1A1KMT2AMEN1
SCHEMBL2061369 0.81 PKM (0.76) POLBPKMALDH1A1KMT2AMEN1
SCHEMBL1024915 0.81 ALDH1A1 (0.73) POLBPKMALDH1A1KMT2AMEN1
SCHEMBL28137833 0.81 ALDH1A1 (1.00) POLBPKMALDH1A1KMT2AMEN1
SCHEMBL1027546 0.81 ALDH1A1 (0.68) POLBPKMALDH1A1KMT2AMEN1
SCHEMBL17007463 0.80 ALDH1A1 (0.75) POLBPKMALDH1A1KMT2AMEN1
SCHEMBL7647475 0.80 ALDH1A1 (0.75) POLBPKMALDH1A1KMT2AMEN1
SCHEMBL13548648 0.80 NPC1 (0.69) POLBPKMALDH1A1KMT2AMEN1

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-2002020437-A2 BASIC COMPOUNDS CONTAINING TERTIARY AMIDES WITH ACTIVITY ON TACHYKININ RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2002-03-14 WO disclosed