SCHEMBL8943686

SCHEMBL8943686

COc1ccc(C(=O)c2ccc([N+](=O)[O-])c(C=O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
MAPK1 P28482 5/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
HPGD P15428 3/20 0.64
RAF1 P04049 1/20 0.64
GFER P55789 1/20 0.64
PAX8 Q06710 1/20 0.64
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL7391355 0.88 MAPT (0.50) MAPTMAPK1ALDH1A1LMNAHPGD
SCHEMBL7391611 0.85 MAPT (0.58) MAPTMAPK1ALDH1A1LMNAHPGD
SCHEMBL7390018 0.85 ABCC3 (0.56) MAPTMAPK1ALDH1A1LMNAHPGD
SCHEMBL3364760 0.83 MAPK1 (0.64) MAPTMAPK1ALDH1A1POLBERN1
SCHEMBL1161468 0.82 ALDH1A1 (0.60) MAPTMAPK1ALDH1A1LMNAMEN1
SCHEMBL30766429 0.82 ALDH1A1 (0.60) MAPTMAPK1ALDH1A1LMNAMEN1
SCHEMBL7287497 0.82 MAPT (0.50) MAPTMAPK1ALDH1A1LMNAHPGD
SCHEMBL5151922 0.82 MAPT (0.68) MAPTMAPK1ALDH1A1LMNAHPGD
SCHEMBL7392802 0.82 TTR (0.56) MAPTMAPK1ALDH1A1LMNAHPGD
SCHEMBL30639026 0.81 MAPT (0.67) MAPTMAPK1ALDH1A1LMNAHPGD

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-5541325-A ENZYME INHIBITORS, ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-30 US disclosed