SCHEMBL7744758

SCHEMBL7744758

CCCCC(=O)Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 5/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPN P05981 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ABL1 P00519 2/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL7744081 0.91 FLT1 (0.46) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL7744763 0.89 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL7744096 0.89 MEN1 (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7744651 0.88 HPGD (0.51) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL7739075 0.88 KDR (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7739065 0.88 KDR (0.50) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL7744054 0.87 MEN1 (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7744656 0.87 MEN1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7744790 0.87 HPN (0.43) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7744672 0.86 HPN (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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