SCHEMBL7744763

SCHEMBL7744763

CCCCC(=O)Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
GLA P06280 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
CYP19A1 P11511 3/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
KDR P35968 2/20 0.39
POLB P06746 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA1 P30542 1/20 0.38
ABL1 P00519 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
SCHEMBL7744083 0.92 KDR (0.47) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7744758 0.89 ALDH1A1 (0.46) KDM4EHPGDALDH1A1HSD17B10GLA
SCHEMBL7739067 0.88 KDR (0.52) KDM4ERAB9ASMN1; SMN2CYP19A1CYP11B1
SCHEMBL7739077 0.87 KDR (0.42) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7744098 0.87 FLT1 (0.40) KDM4EHPGDALDH1A1SMN1; SMN2KDR
SCHEMBL7744794 0.86 PKM (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2KDR
SCHEMBL7746647 0.86 KDR (0.41) KDM4EHPGDALDH1A1SMN1; SMN2KDR
SCHEMBL7744673 0.85 LMNA (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL7744658 0.85 FLT1 (0.39) KDM4EALDH1A1SMN1; SMN2KDRFLT1
SCHEMBL7744055 0.85 MEN1 (0.41) KDM4EHPGDALDH1A1SMN1; SMN2MAPT

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