SCHEMBL7744083

SCHEMBL7744083

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
ADORA1 P30542 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
HPN P05981 1/20 0.39

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
SCHEMBL7744098 0.93 FLT1 (0.40) KDRFLT1FLT4ADORA1SMN1; SMN2
SCHEMBL7744763 0.92 KDM4E (0.46) KDRFLT1FLT4ADORA1SMN1; SMN2
SCHEMBL7739077 0.92 KDR (0.42) KDRFLT1FLT4ADORA1SMN1; SMN2
SCHEMBL7744658 0.91 FLT1 (0.39) KDRFLT1FLT4ADORA1SMN1; SMN2
SCHEMBL7744794 0.90 PKM (0.43) KDRFLT1FLT4SMN1; SMN2MEN1
SCHEMBL7746647 0.90 KDR (0.41) KDRFLT1FLT4ADORA1SMN1; SMN2
SCHEMBL7744673 0.90 LMNA (0.40) SMN1; SMN2NPSR1GAAMEN1KMT2A
SCHEMBL7744055 0.89 MEN1 (0.41) SMN1; SMN2NPSR1HPGDUSP2TSHR
SCHEMBL7744081 0.89 FLT1 (0.46) KDRFLT1FLT4ADORA1SMN1; SMN2
SCHEMBL7744776 0.88 MAPT (0.41) ADORA1SMN1; SMN2NPSR1GAAMEN1

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