SCHEMBL7739006

SCHEMBL7739006

O=C(Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccsc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
FLT1 P17948 2/20 0.40
FLT4 P35916 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
EIF4E P06730 1/20 0.39
KIT P10721 1/20 0.39
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
HPN P05981 1/20 0.38
ABCG2 Q9UNQ0 2/20 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
SCHEMBL7746566 0.90 FLT1 (0.49) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7739074 0.90 KDR (0.53) KDRFLT1FLT4EIF4ERAB9A
SCHEMBL7746638 0.86 FLT1 (0.43) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7744764 0.86 ADCY1 (0.45) KMT2AMEN1MAPTALDH1A1CYP2C9
SCHEMBL7744078 0.84 MAPT (0.49) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7744652 0.84 KDR (0.44) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7739025 0.84 FLT1 (0.42) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7746647 0.84 KDR (0.41) KDRFLT1FLT4KMT2AMEN1
SCHEMBL7744757 0.84 MAPT (0.45) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL7746625 0.83 CA1 (0.46) KMT2AMEN1MAPTALDH1A1NPC1

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 7 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
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO disclosed