SCHEMBL2018897

SCHEMBL2018897

CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
ADRA2B P18089 1/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 7/20 0.59
HPGD P15428 7/20 0.59
HSD17B10 Q99714 6/20 0.59
ALB P02768 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
TUBB4A P04350 1/20 0.56
POLB P06746 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56

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
SCHEMBL31326057 1.00 KDM4E (0.70) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL2024691 0.99 KDM4E (0.69) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL1768511 0.99 KDM4E (0.69) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2023336 0.99 KDM4E (0.69) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL12638001 0.95 KDM4E (0.62) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL2019858 0.91 KDM4E (0.61) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL10669670 0.91 KDM4E (0.57) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL2024689 0.89 KDM4E (0.56) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL12638276 0.89 KDM4E (0.56) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9773701 0.89 KDM4E (0.58) KDM4EADRA2BMAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753925-A Antibacterial 1,7-diamino-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0155587-B1 1,7-DIAMINO-1,4-DIHYDRO-4-OXO-3(AZA)QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING BACTERIAL DISEASES BAYER AG (DE) 1988-06-08 EP claimed
EP-0155587-A1 1,7-Diamino-1,4-dihydro-4-oxo-3(aza)quinoline-carboxylic acids, process for their preparation and their use in treating bacterial diseases BAYER AG (DE) 1985-09-25 EP claimed
EP-2501680-B1 A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2016-02-10 EP disclosed
EP-2501680-B1 A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2016-02-10 EP disclosed
EP-2332916-A2 A process for a preparation of marbofloxacin and intermediate thereof Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2011-06-15 EP disclosed
EP-2332916-A2 A process for a preparation of marbofloxacin and intermediate thereof Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2011-06-15 EP disclosed
WO-2011061292-A1 A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2011-05-26 WO disclosed
EP-0155587-B1 1,7-DIAMINO-1,4-DIHYDRO-4-OXO-3(AZA)QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING BACTERIAL DISEASES BAYER AG (DE) 1988-06-08 EP disclosed
EP-0155587-A1 1,7-Diamino-1,4-dihydro-4-oxo-3(aza)quinoline-carboxylic acids, process for their preparation and their use in treating bacterial diseases BAYER AG (DE) 1985-09-25 EP disclosed