SCHEMBL1862298

SCHEMBL1862298

NC1CCN(c2c(F)cc3c(=O)c(OC(=O)O)cn(C4CC4)c3c2Cl)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.78
POLB P06746 2/20 0.78
OPRM1 P35372 2/20 0.78
CHRM2 P08172 1/20 0.78
CHRM1 P11229 1/20 0.78
OPRD1 P41143 1/20 0.78
KCNH2 Q12809 4/20 0.48
TOP1 P11387 4/20 0.46
TOP2A P11388 8/20 0.46
TOP2B Q02880 6/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PRKD3 O94806 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CLK2 P49760 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL10443927 1.00 ALDH1A1 (0.78) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8131607 1.00 ALDH1A1 (0.78) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8127122 0.99 ALDH1A1 (0.77) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8130305 0.99 ALDH1A1 (0.77) ALDH1A1POLBOPRM1CHRM2CHRM1
Sulfuric Acid SCHEMBL8128512 0.96 ALDH1A1 (0.73) ALDH1A1POLBOPRM1CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL10443925 0.96 ALDH1A1 (0.72) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL15520410 0.94 ALDH1A1 (0.69) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10443783 0.91 ALDH1A1 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10443397 0.91 ALDH1A1 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8195801 0.91 ALDH1A1 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408034-B2 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2011-05-25 EP claimed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP claimed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP claimed
EP-1244434-B1 USE OF CHEMOTHERAPEUTIC AGENTS SCHULZ & SCHLIMBACH GBR (DE) 2004-03-17 EP claimed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP claimed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 WO claimed
EP-0828714-B1 METHOD FOR MAKING QUINOLONE CARBOXYLIC ACIDS OR NAPHTHYRIDINE CARBOXYLIC ACIDS IN FREE BASE FORM WARNER LAMBERT CO (US) 2001-02-14 EP claimed
EP-0666743-B1 SOLUBLE CALCIUM LACTATE/QUINDONECARBOXYLIC ACIDS COMPLEXES AS NON-IRRITATING PARENTERAL FORMS WARNER LAMBERT CO (US) 1998-12-02 EP claimed
EP-0322892-B1 FREEZE-DRIED PHARMACEUTICAL PREPARATIONS FOR PARENTERAL USE KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1992-03-25 EP claimed
EP-0167763-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIHALO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND BACTERICIDAL AGENTS CONTAINING THEM BAYER AG (DE) 1988-08-03 EP claimed
EP-1408034-B2 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2011-05-25 EP disclosed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP disclosed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP disclosed
EP-1244434-B1 USE OF CHEMOTHERAPEUTIC AGENTS SCHULZ & SCHLIMBACH GBR (DE) 2004-03-17 EP disclosed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP disclosed
EP-0164619-B1 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1988-10-12 EP disclosed
EP-0167763-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIHALO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND BACTERICIDAL AGENTS CONTAINING THEM BAYER AG (DE) 1988-08-03 EP disclosed
EP-0274033-A1 Process for the preparation of quinolinecarboxylic acids BAYER AG (DE) 1988-07-13 EP disclosed
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 EP disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 EP disclosed