SCHEMBL9469348

SCHEMBL9469348

CN1CCN(c2c(F)cc3c(=O)c(CCC(=O)O)cn4c3c2SCC4)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.71
ADRA2B P18089 1/20 0.71
MAPK1 P28482 1/20 0.71
ALDH1A1 P00352 7/20 0.70
HPGD P15428 5/20 0.70
HSD17B10 Q99714 3/20 0.70
ALB P02768 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TUBB4A P04350 1/20 0.40
POLB P06746 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL26193595 0.83 KDM4E (0.85) KDM4EADRA2BMAPK1ALDH1A1HPGD
Rufloxacin SCHEMBL135502 0.83 KDM4E (1.00) KDM4EADRA2BMAPK1ALDH1A1HPGD
Rufloxacin SCHEMBL8385662 0.82 KDM4E (1.00) KDM4EADRA2BMAPK1ALDH1A1HPGD
Rufloxacin SCHEMBL51616 0.82 KDM4E (1.00) KDM4EADRA2BMAPK1ALDH1A1HPGD
Rufloxacin SCHEMBL8126704 0.82 KDM4E (1.00) KDM4EADRA2BMAPK1ALDH1A1HPGD
Rufloxacin SCHEMBL23282883 0.82 KDM4E (0.98) KDM4EADRA2BMAPK1ALDH1A1HPGD
Rufloxacin SCHEMBL8390373 0.82 KDM4E (1.00) KDM4EADRA2BMAPK1ALDH1A1HPGD
Rufloxacin SCHEMBL574492 0.82 KDM4E (0.98) KDM4EADRA2BMAPK1ALDH1A1HPGD
Rufloxacin SCHEMBL12505914 0.82 KDM4E (0.98) KDM4EADRA2BMAPK1ALDH1A1HPGD
Rufloxacin SCHEMBL1651162 0.82 KDM4E (0.96) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5221741-A Process for the preparation of 9-fluoro-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzothiazine-6-carboxylic acid hydrochloride MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-06-22 US claimed
US-5221741-A Process for the preparation of 9-fluoro-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzothiazine-6-carboxylic acid hydrochloride MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-06-22 US disclosed
EP-0522277-A1 Process for the preparation of 9-fluoro-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzothiazine-6-carboxylic acid hydrochloride MEDIOLANUM FARMACEUTICI s.r.l. (IT) 1993-01-13 EP disclosed