SCHEMBL1012

SCHEMBL1012

[NH]C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
RAB9A P51151 1/20 0.56
AKR1C3 P42330 1/20 0.56
HTT P42858 1/20 0.52
HTR2A P28223 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP2C19 P33261 1/20 0.51
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.50

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
SCHEMBL37664 0.85 HTR2A (0.62) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL37665 0.84 AKR1C3 (0.62) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL6399778 0.84 IDO1 (0.59) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL9676461 0.83 TSHR (0.56) IDO1AKR1C3ALDH1A1CYP2C19
SCHEMBL11161827 0.83 HTR2A (0.57) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL10751236 0.83 RAB9A (0.54) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL17128295 0.82 IDO1 (0.58) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL4725847 0.82 HTR2A (0.59) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL11099610 0.82 IDO1 (0.58) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL1555636 0.82 ALDH1A1 (0.59) IDO1RAB9AAKR1C3HTTHTR2A

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 456 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435352-A2 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines Wyeth Holdings Corporation (US) 2004-07-07 EP claimed
EP-0618190-B1 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines WYETH CORP (US) 2004-05-19 EP claimed
EP-0639585-A1 Elastase inhibitor BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP claimed
US-5371076-A ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1994-12-06 US claimed
EP-0618190-A1 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-10-05 EP claimed
EP-0181702-B1 6-SUBSTITUTED PENICILLANIC ACID 1,1-DIOXIDE COMPOUNDS PFIZER INC. (US) 1989-05-31 EP claimed
EP-0083484-B1 1,1-ALKANEDIOL DICARBOXYLATE LINKED ANTIBACTERIAL AGENTS PFIZER INC. (US) 1986-02-19 EP claimed
EP-0082666-B1 BIS-HYDROXYMETHYL CARBONATE BRIDGED ANTIBACTERIAL AGENTS PFIZER INC. (US) 1986-02-05 EP claimed
EP-0060119-B1 AZETIDINONE COMPOUNDS AND THEIR PREPARATION ELI LILLY AND COMPANY (US) 1985-04-10 EP claimed
US-4461726-A Desulfurization of penicillins to prepare azetidinones HOFFMANN-LA ROCHE INC. (US) 1984-07-24 US claimed
EP-0079167-A1 A carbapenem compound, preparation and use BEECHAM GROUP PLC (GB) 1983-05-18 EP claimed
US-4359472-A DERIVED FROM A PENICILLIN AND A BETA-LACTAMASE INHIBITOR PFIZER INC. (US) 1982-11-16 US claimed
US-4352752-A Process for the preparation of dipeptides SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-10-05 US claimed
EP-0060119-A1 Azetidinone compounds and their preparation ELI LILLY AND COMPANY (US) 1982-09-15 EP claimed
US-4347181-A Intermediates for producing bicyclic β-lactam-antibiotics BEECHAM GROUP LIMITED (GB) 1982-08-31 US claimed
US-4289696-A BETA-LACTAMASE INHIBITORY AGENTS WHICH ENHANCE ACTIVITY OF A PENICICILLIN OR CEPHALOSPORIN BEECHAM GROUP LIMITED (GB) 1981-09-15 US claimed
EP-0024832-A1 Beta-lactam antibiotics, their preparation, pharmaceutical compositions containing them and their preparation BEECHAM GROUP PLC (GB) 1981-03-11 EP claimed
US-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US claimed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 US claimed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US claimed