SCHEMBL7744098

SCHEMBL7744098

CCCCC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
GAA P10253 1/20 0.37
ADORA1 P30542 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GSK3B P49841 1/20 0.37
PSD A5PKW4 1/20 0.37
THRB P10828 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL7744083 0.93 KDR (0.47) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7739077 0.92 KDR (0.42) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7744785 0.91 CYP1A2 (0.40) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7744673 0.90 LMNA (0.40) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7744658 0.90 FLT1 (0.39) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7744055 0.89 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7744096 0.89 MEN1 (0.42) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7744065 0.87 KDR (0.54) FLT1FLT4KDRMAPTSMN1; SMN2
SCHEMBL7744763 0.87 KDM4E (0.46) FLT1FLT4KDRMEN1KMT2A
SCHEMBL7746647 0.87 KDR (0.41) FLT1FLT4KDRMEN1KMT2A

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 4 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
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