SCHEMBL9693055

SCHEMBL9693055

CCOC(=O)c1cn(C2CC2)c2c(F)c(N)c(F)cc2c1=O

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.65
TOP2A P11388 7/20 0.52
TOP2B Q02880 7/20 0.52
KCNH2 Q12809 4/20 0.49
STAT3 P40763 1/20 0.49
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45

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
SCHEMBL3134035 0.94 ADRB2 (0.61) ADRB2TOP2ATOP2BKCNH2STAT3
SCHEMBL29492858 0.92 ADRB2 (0.68) ADRB2TOP2ATOP2BKCNH2STAT3
SCHEMBL2844967 0.92 ADRB2 (0.68) ADRB2TOP2ATOP2BKCNH2STAT3
SCHEMBL10627001 0.90 ADRB2 (0.66) ADRB2TOP2ATOP2BKCNH2STAT3
SCHEMBL27442162 0.90 ADRB2 (0.56) ADRB2TOP2ATOP2BKCNH2STAT3
SCHEMBL30944906 0.90 ADRB2 (0.56) ADRB2TOP2ATOP2BKCNH2STAT3
SCHEMBL25669900 0.89 ADRB2 (0.58) ADRB2TOP2ATOP2BKCNH2STAT3
SCHEMBL7599453 0.89 ADRB2 (0.65) ADRB2TOP2ATOP2BKCNH2STAT3
SCHEMBL5704396 0.88 ADRB2 (0.64) ADRB2TOP2ATOP2BKCNH2STAT3
SCHEMBL143605 0.88 ADRB2 (0.64) ADRB2TOP2ATOP2BKCNH2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US disclosed
US-5091384-A ANTI-BACTERIAL QUINOLONE- AND NAPHTHYRIDONE-CARBOXYLIC ACID COMPOUNDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-02-25 US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 US disclosed
EP-0424850-A1 Quinolone compounds and a process for their preparation KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1991-05-02 EP disclosed
EP-0417669-A2 Pyridinyl-quinolone compounds, their preparation and use STERLING WINTHROP INC. (US) 1991-03-20 EP disclosed
US-4927926-A BACTERICIDES LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1990-05-22 US disclosed
EP-0309789-A1 4-Oxo-3-quinolinecarboxylic acids useful as antibacterial agents and preparation thereof STERLING WINTHROP INC. (US) 1989-04-05 EP disclosed