SCHEMBL7744790

SCHEMBL7744790

CCCCC(=O)Nc1oc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2O)nc1-c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDR P35968 1/20 0.43
TP53 P04637 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
PIK3CD O00329 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
SLC2A1 P11166 1/20 0.40
HSP90AA1 P07900 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 0.90 FLT1 (0.46) HPNMEN1KMT2AKDRMAPT
SCHEMBL7744794 0.90 PKM (0.43) HPNMEN1KMT2AKDRTP53
SCHEMBL7739007 0.89 KDR (0.51) MEN1KMT2AKDRMAPTSMN1; SMN2
SCHEMBL7739075 0.89 KDR (0.42) HPNMEN1KMT2AKDRMAPT
SCHEMBL7744096 0.88 MEN1 (0.42) HPNMEN1KMT2AKDRMAPT
SCHEMBL7744646 0.88 KDR (0.56) HPNMEN1KMT2AKDRTP53
SCHEMBL7744758 0.87 ALDH1A1 (0.46) HPNMEN1KMT2AMAPTRAB9A
SCHEMBL7744054 0.86 MEN1 (0.42) HPNMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7744656 0.86 MEN1 (0.43) HPNMEN1KMT2AKDRMAPT
SCHEMBL7744672 0.85 HPN (0.42) HPNMEN1KMT2AKDRMAPT

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