SCHEMBL9475702

SCHEMBL9475702

Cc1c(F)c(N2CCNCC2)c(C#N)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TOP2A P11388 6/20 0.47
TOP2B Q02880 6/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CACNA1F O60840 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
GSK3B P49841 3/20 0.44

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
SCHEMBL9476506 0.92 MEN1 (0.46) KCNH2HRH3MEN1KMT2ATOP2A
SCHEMBL9477260 0.92 MEN1 (0.57) KCNH2HRH3MEN1KMT2ATOP2A
SCHEMBL8554756 0.89 MEN1 (0.61) KCNH2HRH3MEN1KMT2ATOP2A
SCHEMBL8555655 0.88 KCNH2 (0.55) KCNH2HRH3MEN1KMT2ATOP2A
SCHEMBL9088726 0.87 KCNH2 (0.54) KCNH2HRH3MEN1KMT2ATOP2A
SCHEMBL9476946 0.86 MEN1 (0.56) KCNH2HRH3MEN1KMT2ATOP2A
SCHEMBL8557613 0.86 KCNH2 (0.55) KCNH2HRH3MEN1KMT2ATOP2A
SCHEMBL9473977 0.85 POLB (0.55) KCNH2HRH3MEN1KMT2ATOP2A
SCHEMBL9475193 0.85 KCNH2 (0.50) KCNH2HRH3MEN1KMT2ATOP2A
SCHEMBL9089131 0.84 KCNH2 (0.51) KCNH2HRH3MEN1KMT2ATOP2A

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-4908366-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-03-13 US claimed
US-5190955-A Bactericides, effective against antibiotic resistant germs BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
US-5051418-A Antibacterial 8-cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4908366-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed
EP-0319906-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-14 EP disclosed
EP-0276700-A1 8-Cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1988-08-03 EP disclosed