SCHEMBL7746625

SCHEMBL7746625

O=C(Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1c(Cl)cccc1Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PABPC1 P11940 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
EIF4H Q15056 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 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
SCHEMBL7744757 0.94 MAPT (0.45) CA1CA2CA4CA7MAPT
SCHEMBL7744176 0.89 KDR (0.48) MAPTLMNAKMT2AMEN1GAA
SCHEMBL7746566 0.89 FLT1 (0.49) CA1CA2CA4CA7MAPT
SCHEMBL7744652 0.89 KDR (0.44) MAPTLMNAKMT2AMEN1PABPC1
SCHEMBL7746638 0.88 FLT1 (0.43) CA1CA2CA4CA7MAPT
SCHEMBL7746621 0.88 HDAC2 (0.49) CA1CA2CA4CA7MAPT
SCHEMBL7744764 0.85 ADCY1 (0.45) MAPTLMNAKMT2AMEN1PABPC1
SCHEMBL7744809 0.84 AKR1C4 (0.41) CA1CA2CA4CA7MAPT
SCHEMBL7744055 0.84 MEN1 (0.41) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7744078 0.83 MAPT (0.49) MAPTKMT2AMEN1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP claimed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP claimed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO claimed
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP disclosed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO disclosed