SCHEMBL9804602

SCHEMBL9804602

O=C1CN(S(=O)(=O)c2ccc3c([N+](=O)[O-])cccc3c2)C(=O)N1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 4/20 0.40
VCAM1 P19320 2/20 0.38
MMP2 P08253 2/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8973198 0.79 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1VCAM1NPBWR1
SCHEMBL8972886 0.76 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1VCAM1NPBWR1
SCHEMBL9734100 0.70 ALDH1A1 (0.56) ALDH1A1TDP1GAASMN1; SMN2TSHR
SCHEMBL28472152 0.70 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1VCAM1TDP1
SCHEMBL14058836 0.70 CA2 (0.58) ALDH1A1VCAM1TDP1POLBLMNA
SCHEMBL8973579 0.70 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1VCAM1TDP1
SCHEMBL28470101 0.69 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1TDP1GAA
SCHEMBL9735773 0.64 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL8668528 0.64 TSHR (0.66) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL9734521 0.63 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1TDP1POLB

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
US-5004751-A Antidiabetic agents; aldoe reductase inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-04-02 US disclosed