SCHEMBL4449570

SCHEMBL4449570

CN(CC12CN(C(=O)O)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TNF P01375 1/20 0.38
GAA P10253 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BLM P54132 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 1/20 0.35
CXCR4 P61073 2/20 0.35

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
SCHEMBL4454104 0.85 POLB (0.44) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL4518886 0.82 POLB (0.43) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL4522977 0.77 CYP2D6 (0.47) ALDH1A1
SCHEMBL4237209 0.76 CYP2D6 (0.41) ALDH1A1L3MBTL1
SCHEMBL4454901 0.76 CYP2D6 (0.42) ALDH1A1KDM4E
SCHEMBL4519652 0.75 CYP2D6 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL4532064 0.70 POLB (0.44) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL6079416 0.70 CYP2D6 (0.45) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL4452402 0.67 CYP2D6 (0.33) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL4526398 0.66 CYP2D6 (0.48) ALDH1A1SMN1; SMN2

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
EP-2020411-A1 SPIRO TETRACYCLIC COMPOUND MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-02-04 EP disclosed