SCHEMBL4454104

SCHEMBL4454104

O=C(O)N1CC(=O)N2CC3(CCN(Cc4ccccc4)CC3)NC2(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TNF P01375 1/20 0.39
GAA P10253 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP19A1 P11511 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL4449570 0.85 POLB (0.43) POLBKMT2AALDH1A1LMNAMAPT
SCHEMBL4532064 0.82 POLB (0.44) POLBKMT2AALDH1A1LMNAMAPT
SCHEMBL4454901 0.80 CYP2D6 (0.42) ALDH1A1KDM4EMAPK1
SCHEMBL4237209 0.77 CYP2D6 (0.41) ALDH1A1SIGMAR1MAPK1
SCHEMBL4522977 0.75 CYP2D6 (0.47) ALDH1A1MAPK1
SCHEMBL4519652 0.73 CYP2D6 (0.41) KMT2AALDH1A1MEN1MAPK1
SCHEMBL4518886 0.70 POLB (0.43) POLBKMT2AALDH1A1LMNAMAPT
SCHEMBL4452402 0.70 CYP2D6 (0.33) KMT2AALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL4165858 0.69 POLB (0.58) POLBKMT2AALDH1A1LMNAMAPT
SCHEMBL6079416 0.67 CYP2D6 (0.45) KMT2AALDH1A1LMNASMN1; SMN2MEN1

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