SCHEMBL7739016

SCHEMBL7739016

CC(=O)Nc1oc(-c2ccccc2-c2cccc(O)c2)nc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.56
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56
ALOX15 P16050 1/20 0.43
FYN P06241 1/20 0.43
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP1A2 P05177 1/20 0.40
USP2 O75604 1/20 0.40
USP1 O94782 1/20 0.40
USP8 P40818 1/20 0.40
OTUB1 Q96FW1 1/20 0.40
USP36 Q9P275 1/20 0.40
ABL1 P00519 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL7744668 0.89 KDR (0.69) KDRFLT1FLT4ALOX15FYN
SCHEMBL7744170 0.88 F2 (0.45) KDRFLT1FLT4USP2ABL1
SCHEMBL7744655 0.86 HPGD (0.50) KDRFLT1FLT4CYP1A2USP2
SCHEMBL7739089 0.84 KDR (0.60) KDRFLT1FLT4ALOX15FYN
SCHEMBL7739080 0.84 KDR (0.62) KDRFLT1FLT4ALOX15FYN
SCHEMBL7983232 0.84 KDR (0.57) KDRFLT1FLT4ALOX15CCNE2
SCHEMBL7744664 0.83 KDR (0.55) KDRFLT1FLT4ALOX15FYN
SCHEMBL7746642 0.83 KDR (0.55) KDRFLT1FLT4ALOX15FYN
SCHEMBL7744772 0.83 KDR (0.61) KDRFLT1FLT4ALOX15FYN
SCHEMBL7739017 0.83 KDR (0.62) KDRFLT1FLT4ALOX15CYP1A2

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 8 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
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US 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