SCHEMBL8102675

SCHEMBL8102675

O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)O.[MgH2]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.53
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA2 P00918 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LDHA P00338 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
CES1 P23141 2/20 0.47

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
SCHEMBL3091161 0.98 TSHR (0.53) GSK3BTSHRLMNAMEN1KMT2A
SCHEMBL10999834 0.88 MEN1 (0.51) GSK3BTSHRLMNAMEN1KMT2A
SCHEMBL10436410 0.85 CPA1 (0.57) TSHRLMNAMEN1KMT2ACYP2C19
SCHEMBL10926758 0.85 MEN1 (0.49) GSK3BTSHRLMNAMEN1KMT2A
SCHEMBL9705623 0.84 LMNA (0.54) GSK3BTSHRLMNAMEN1KMT2A
SCHEMBL8102671 0.84 LMNA (0.50) GSK3BTSHRLMNAMEN1KMT2A
SCHEMBL8953727 0.84 LMNA (0.50) TSHRLMNAMEN1KMT2ACYP2C19
SCHEMBL1862886 0.84 LMNA (0.54) GSK3BTSHRLMNAMEN1KMT2A
SCHEMBL1857686 0.84 LMNA (0.50) TSHRLMNAMEN1KMT2ACYP2C19
SCHEMBL4365310 0.84 LMNA (0.50) TSHRLMNAMEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054917-B1 6- AND 4-SUBSTITUTED-1-AZABICYCLO(3.2.0)HEPTAN-3,7-DIONE-2-CARBOXYLATES MERCK & CO. INC. (US) 1988-03-09 EP claimed
EP-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed
US-5756765-A BACTERICIDES AND ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1998-05-26 US disclosed
US-5750735-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
US-5744465-A Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1998-04-28 US disclosed
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed
US-5623081-A USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION LIN YANG-I (US) 1997-04-22 US disclosed
US-5602118-A A 2-((2-SUBSTITUTED ALKYL)FUR-3-YL)-THIO-),3-CARBOXY-2-CARBOPENEM DERIVATIVES; EFFECTIVE AGAINST BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA AMERICAN CYANAMID COMPANY (US) 1997-02-11 US disclosed
EP-0674640-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP (KR) 1995-10-04 EP disclosed
US-5380860-A Preparation of beta-ketoesters useful in preparing quinolone antibiotics PFIZER INC. (US) 1995-01-10 US disclosed
EP-0237027-A2 6-(Disubstituted amino) carbapenam compounds Sanraku Incorporated (JP) 1987-09-16 EP disclosed
EP-0060416-B1 NEW BETA-LACTAM ACETIC ACID DERIVATIVES, THE PROCESS FOR PREPARING THEM, AND THEIR USE AS INTERMEDIATES FOR 1-AZABICYCLO(3.2.0.)HEPT-2-ENE ANTIBIOTICS GRUPPO LEPETIT S.P.A. (IT) 1986-08-20 EP disclosed
US-4576746-A Novel β-lactam acetic acid derivatives GRUPPO LEPETIT, S.P.A. (IT) 1986-03-18 US disclosed
EP-0160876-A1 1-Hetero-6-/1-Hydroxyethyl/-2-SR8-1-carbadethiapen-2-EM-3-carboxylic acids MERCK & CO. INC. (US) 1985-11-13 EP disclosed
EP-0113101-A1 6-(1-Hydroxyethyl)-2-SR8-1-methyl-1-carbadethiapen-2-em-3-carboxylic acid esters MERCK & CO. INC. (US) 1984-07-11 EP disclosed
EP-0093915-A1 Novel beta-lactam derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-11-16 EP disclosed
EP-0071908-A1 1-, and 1,1-disubstituted-6-substituted-2-carbamimidoyl-1-carbadethiapen-2-em-3-carboxylic acids, a process for preparing and an antibiotic composition containing the same MERCK & CO. INC. (US) 1983-02-16 EP disclosed
EP-0060416-A1 New beta-lactam acetic acid derivatives, the process for preparing them, and their use as intermediates for 1-azabicyclo(3.2.0.)hept-2-ene antibiotics GRUPPO LEPETIT S.P.A. (IT) 1982-09-22 EP disclosed
US-4350631-A ANTIBIOTICS MERCK & CO., INC. (US) 1982-09-21 US disclosed
EP-0054917-A2 6- and 4-Substituted-1-azabicyclo(3.2.0)heptan-3,7-dione-2-carboxylates MERCK & CO. INC. (US) 1982-06-30 EP disclosed