SCHEMBL7743974

SCHEMBL7743974

CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
ALOX5 P09917 2/20 0.44
PTGES O14684 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TYMS P04818 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL7369117 0.97 CES2 (0.48) ALDH1A1SMN1; SMN2KMT2ACRHBPCRHR2
SCHEMBL8812280 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2ACRHBPCRHR2
SCHEMBL7377386 0.84 MAPT (0.45) ALDH1A1SMN1; SMN2KMT2APKMMAPT
SCHEMBL18668281 0.83 KMT2A (0.53) ALDH1A1SMN1; SMN2KMT2APKMMAPT
SCHEMBL7375065 0.81 CRHBP (0.52) ALDH1A1SMN1; SMN2KMT2ACRHBPCRHR2
SCHEMBL7374177 0.80 CRHBP (0.44) ALDH1A1SMN1; SMN2KMT2ACRHBPCRHR2
SCHEMBL7371730 0.80 CRHBP (0.51) ALDH1A1SMN1; SMN2CRHBPCRHR2MAPT
SCHEMBL10373835 0.80 ATM (0.54) ALDH1A1SMN1; SMN2KMT2ACRHBPCRHR2
SCHEMBL7748629 0.79 MAPT (0.45) ALDH1A1SMN1; SMN2KMT2APKMMAPT
SCHEMBL7370750 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed