SCHEMBL8079562

SCHEMBL8079562

N=C=O.Nc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
IDO1 P14902 1/20 0.46
ATM Q13315 2/20 0.46
ALDH1A1 P00352 1/20 0.46
IMPDH2 P12268 2/20 0.44
GPR84 Q9NQS5 2/20 0.44
CYP2A6 P11509 2/20 0.44
IMPDH1 P20839 1/20 0.44
STAT3 P40763 1/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
AHR P35869 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 2/20 0.42
MPO P05164 1/20 0.42

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
SCHEMBL37668 0.88 GFER (0.60) GFERIDO1ATMALDH1A1IMPDH2
Bromide SCHEMBL28737265 0.86 GFER (0.58) GFERIDO1ATMALDH1A1IMPDH2
Iodide SCHEMBL2316312 0.86 GFER (0.58) GFERIDO1ATMALDH1A1IMPDH2
Hydrochloric Acid SCHEMBL23704203 0.86 GFER (0.58) GFERIDO1ATMALDH1A1IMPDH2
SCHEMBL28110454 0.86 GFER (0.58) GFERIDO1ATMALDH1A1IMPDH2
Propane SCHEMBL28730352 0.80 GFER (0.53) GFERATMALDH1A1GPR84CYP2A6
SCHEMBL7300286 0.76 ATM (0.50) GFERATMALDH1A1IMPDH2GPR84
Trifluoroacetic Acid SCHEMBL30233736 0.75 MAPK1 (0.57) GFERATMALDH1A1GPR84STAT3
SCHEMBL28637564 0.72 GFER (0.49) GFERATMALDH1A1IMPDH2GPR84
Carbazole SCHEMBL31168164 0.70 ALDH1A1 (0.70) IDO1ATMALDH1A1MEN1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553741-B1 Fluorogenic and chromogenic betalactamase substrates BECTON DICKINSON CO (US) 2000-08-23 EP disclosed
US-5583217-A CEPHALOSPORIN DERIVATIVES WHICH FORM FLUORESCENT OR COLORED PRODUCTS WHEN HYDROLYZED BECTON, DICKINSON AND COMPANY (US) 1996-12-10 US disclosed
US-5516902-A CHROMOGENS AND FLUOROGENS TO DETECT B-LACTAMASE BECTON, DICKINSON AND COMPANY (US) 1996-05-14 US disclosed
US-5514561-A ASSAYING USING A CEPHALOSPORIN DERIVATIVE BECTON, DICKINSON AND COMPANY (US) 1996-05-07 US disclosed
US-5338843-A Cephalosporin derivatives; detecting antibiotic resistance BECTON, DICKINSON AND COMPANY (US) 1994-08-16 US disclosed
EP-0553741-A2 Fluorogenic and chromogenic betalactamase substrates Becton, Dickinson and Company (US) 1993-08-04 EP disclosed