Pradofloxacin

Pradofloxacin

SCHEMBL7975579

Cc1ccc(S(=O)(=O)O)cc1.N#Cc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

gyrAgyrBparCparE

The experimentally established mechanism targets of Pradofloxacin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 4/20 0.63
HSD17B10 Q99714 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
KCNH2 Q12809 6/20 0.46
POLB P06746 2/20 0.46
OPRM1 P35372 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRD1 P41143 1/20 0.42
TOP2A P11388 3/20 0.40
TOP2B Q02880 3/20 0.40
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8741063 0.92 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
Pradofloxacin SCHEMBL7976296 0.92 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7545022 0.91 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
Pradofloxacin SCHEMBL2201509 0.90 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
Pradofloxacin SCHEMBL150884 0.90 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
Pradofloxacin SCHEMBL7488977 0.90 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
Pradofloxacin SCHEMBL7678035 0.90 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
Pradofloxacin SCHEMBL30595280 0.89 ALDH1A1 (0.74) KDM4EALDH1A1HPGDHSD17B10MEN1
Pradofloxacin SCHEMBL7962325 0.89 ALDH1A1 (0.74) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7975584 0.89 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323213-B1 ANTIBIOTICS, BACTERICIDES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed
US-6278013-B1 AS CHEMICAL INTERMEDIATES FOR PREPARING QUINOLINECARBOXYLIC ACID DERIVATIVE ANTIBIOTICS USED IN VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed