SCHEMBL7413769

SCHEMBL7413769

N[CH]c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 3/20 0.48
CYP3A4 P08684 1/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46

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
SCHEMBL7503380 0.80 TDP1 (0.60) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2097650 0.79 TDP1 (0.65) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8580636 0.77 TDP1 (0.62) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7536038 0.75 TDP1 (0.60) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL109034 0.75 TDP1 (0.60) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL705623 0.75 TDP1 (0.60) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2582167 0.75 TDP1 (0.60) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11454521 0.75 TDP1 (0.60) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7831326 0.75 TDP1 (0.60) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL128782 0.75 TDP1 (0.60) TDP1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 US claimed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 US claimed
US-4957912-A ANTIBIOTICS MERCK & CO., INC. (US) 1990-09-18 US disclosed
US-4891370-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1990-01-02 US disclosed
US-4847247-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1989-07-11 US disclosed
US-4845088-A ANTIINFLAMMATORY, ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1989-07-04 US disclosed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US disclosed
US-4797396-A INHIBITION OF ELASTASE, ANTIBIOTICS MERCK & CO., INC. (US) 1989-01-10 US disclosed
US-4717722-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1988-01-05 US disclosed
US-4071529-A Derivatives of 6-aminopenicillanic acid MERCK & CO., INC. (US) 1978-01-31 US disclosed
US-4064344-A ANTIBIOTIC MERCK & CO., INC. (US) 1977-12-20 US disclosed
US-4060687-A Cephalosporins having a 3-α substituted alkyl grouping MERCK & CO., INC. (US) 1977-11-29 US disclosed
US-4035359-A 6α, β-Substituted penicillin derivatives MERCK & CO., INC. (US) 1977-07-12 US disclosed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US disclosed
US-3974151-A Cephalosporin compounds MERCK & CO., INC. (US) 1976-08-10 US disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 US disclosed