SCHEMBL7474642

SCHEMBL7474642

COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 1/20 0.55
ABL1 P00519 1/20 0.50
KDM4E B2RXH2 5/20 0.49
GAA P10253 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL3998487 0.94 ALDH1A1 (0.51) ALDH1A1CYP3A4ABL1KDM4EGAA
SCHEMBL15822217 0.88 MEN1 (0.48) ALDH1A1CYP3A4ABL1KDM4EGAA
SCHEMBL32659719 0.87 PDGFRB (0.51) ALDH1A1CYP3A4KDM4EGAATDP1
SCHEMBL1786813 0.86 MEN1 (0.51) ALDH1A1CYP3A4KDM4ETDP1PDGFRB
SCHEMBL11397555 0.86 KDM4E (0.53) ALDH1A1ABL1KDM4EGAATDP1
SCHEMBL26321195 0.84 KDM4E (0.51) ALDH1A1CYP3A4ABL1KDM4EGAA
SCHEMBL6671500 0.84 POLB (0.55) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL3615613 0.83 PDGFRB (0.55) ALDH1A1CYP3A4ABL1KDM4EGAA
SCHEMBL2243797 0.83 PDGFRB (0.62) ALDH1A1KDM4ETDP1PDGFRBFGFR1
SCHEMBL13680345 0.83 TDP1 (0.53) ALDH1A1CYP3A4KDM4EGAATDP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420528-A Preparation method of 7-halogeno-6-nitro-1, 4-dihydro-quinoline-4-ketone-3-carbonitrile 浙江普洛家园药业有限公司 2024-08-02 CN disclosed
EP-0920319-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-05-02 EP disclosed
WO-2001070227-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2001-09-27 WO disclosed
US-6162813-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-19 US disclosed
US-6150522-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-11-21 US disclosed
US-6150352-A ARYLQUINOLONE ANALOGS MERCK & CO., INC. (US) 2000-11-21 US disclosed
US-6147088-A USEFUL FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED CONDITIONS MERCK & CO., INC. (US) 2000-11-14 US disclosed
EP-0901471-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-08-25 EP disclosed
EP-0918522-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-08-18 EP disclosed
EP-0920319-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-06-09 EP disclosed
EP-0918522-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-06-02 EP disclosed
EP-0901471-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-03-17 EP disclosed
EP-0901489-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-03-17 EP disclosed
WO-1997044321-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
WO-1997044037-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
WO-1997044339-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
WO-1997044041-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed