SCHEMBL9688340

SCHEMBL9688340

CCOC(=O)c1cn(C2CC2)c2c(Cl)c(F)c(F)c([N+](=O)[O-])c2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
STAT3 P40763 2/20 0.43
HTT P42858 2/20 0.41
POLB P06746 3/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TOP2A P11388 2/20 0.38
TOP2B Q02880 2/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
CACNA1F O60840 1/20 0.36
MAPK1 P28482 1/20 0.36
CACNA1D Q01668 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL9248857 0.91 STAT3 (0.50) ADRB2STAT3HTTPOLBTSHR
SCHEMBL3135458 0.90 STAT3 (0.47) ADRB2STAT3HTTPOLBTSHR
SCHEMBL7520230 0.90 ADRB2 (0.46) ADRB2STAT3HTTPOLBTSHR
SCHEMBL1344925 0.89 STAT3 (0.46) ADRB2STAT3HTTPOLBTSHR
SCHEMBL9133982 0.88 ADRB2 (0.50) ADRB2STAT3HTTPOLBTSHR
SCHEMBL1345260 0.88 ADRB2 (0.44) ADRB2STAT3HTTPOLBTSHR
SCHEMBL1345069 0.87 ADRB2 (0.42) ADRB2STAT3HTTPOLBTSHR
SCHEMBL3263934 0.86 POLB (0.42) ADRB2STAT3HTTPOLBTSHR
SCHEMBL8116592 0.86 ADRB2 (0.49) ADRB2STAT3HTTPOLBTSHR
SCHEMBL1345609 0.85 ADRB2 (0.42) ADRB2STAT3HTTPOLBTSHR

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
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP disclosed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 EP disclosed