SCHEMBL7744809

SCHEMBL7744809

O=C(Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccc(Cl)cc1)c1ccccc1.O=C(Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
KDR P35968 2/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC2 Q92769 1/20 0.39
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
HPN P05981 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL7746638 0.94 FLT1 (0.43) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7746566 0.89 FLT1 (0.49) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7744652 0.89 KDR (0.44) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7985540 0.88 KDR (0.47) AKR1C4AKR1C3AKR1C2AKR1C1KDR
SCHEMBL7746635 0.86 HDAC2 (0.49) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7746625 0.84 CA1 (0.46) AKR1C4AKR1C3AKR1C2AKR1C1KMT2A
SCHEMBL7739025 0.84 FLT1 (0.42) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7744757 0.83 MAPT (0.45) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL7744065 0.83 KDR (0.54) KDRFLT1FLT4MAPTHPN
SCHEMBL7746601 0.83 KDR (0.53) KDRFLT1FLT4KMT2AMEN1

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
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