SCHEMBL7349906

SCHEMBL7349906

COC(=O)c1cccc(Cn2c(=O)c(=O)[nH]c3cc([N+](=O)[O-])ccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.45
CFTR P13569 1/20 0.45
FEN1 P39748 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PLA2G2A P14555 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
ELANE P08246 3/20 0.42
F2 P00734 2/20 0.42
PLAU P00749 2/20 0.42
CTRB1 P17538 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KLKB1 P03952 1/20 0.42
LMNA P02545 1/20 0.41
MAPK10 P53779 1/20 0.41
CCR2 P41597 1/20 0.41
PARG Q86W56 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL7353213 0.92 PGR (0.46) NOX4CFTRFEN1KMT2AMEN1
SCHEMBL7352546 0.89 PARG (0.47) NOX4CFTRKMT2AMEN1ALDH1A1
SCHEMBL7358171 0.88 FEN1 (0.49) NOX4FEN1KMT2AALDH1A1CCR2
SCHEMBL7361866 0.84 CFTR (0.48) NOX4CFTRFEN1KMT2AMEN1
SCHEMBL7356157 0.81 SMN1; SMN2 (0.46) NOX4CFTRKMT2AMEN1ALDH1A1
SCHEMBL9395755 0.81 PGR (0.54) CFTRKMT2AMEN1ALDH1A1
SCHEMBL7353587 0.80 PGR (0.52) NOX4FEN1KMT2AALDH1A1CCR2
SCHEMBL7352345 0.79 CCR2 (0.46) NOX4FEN1KMT2AMEN1CCR2
SCHEMBL7361149 0.76 SMN1; SMN2 (0.51) NOX4CFTRKMT2AMEN1PLA2G2A
SCHEMBL7356210 0.75 TP53 (0.52) NOX4CFTRFEN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US claimed
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed