SCHEMBL4744115

SCHEMBL4744115

O=C(O)c1c[nH]c2c(C3CC3)c(N3CCNCC3)c(F)cc2c1=O.O=C1CCC(C(=O)O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 8/20 0.40
HPGD P15428 8/20 0.40
HSD17B10 Q99714 8/20 0.40
TOP2A P11388 5/20 0.40
LMNA P02545 5/20 0.40
TOP2B Q02880 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
TOP1 P11387 1/20 0.38
BRD4 O60885 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CYP2J2 P51589 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATP6V1B2 P21281 1/20 0.35
TBXA2R P21731 1/20 0.35
EDNRA P25101 1/20 0.35
TARBP2 Q15633 1/20 0.35
POLB P06746 2/20 0.34

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
SCHEMBL3239412 0.89 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TOP2A
Hydrochloric Acid SCHEMBL7253434 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL8898775 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL17769247 0.78 LMNA (0.38) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL5735129 0.77 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10TOP2A
Ciprofloxacin SCHEMBL1915599 0.77 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10480544 0.77 LMNA (0.41) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9378968 0.76 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL6903795 0.76 CYP1A2 (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9522706 0.76 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10TOP2A

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
WO-2008094549-A1 FLUOROQUINOLONE CARBOXYLIC ACID SALT COMPOSITIONS IDEXX LABORATORIES INC. (US) 2008-08-07 WO disclosed
EP-0640074-A1 NOVEL SALTS OF A QUINOLONE-CARBOXYLIC ACID CHEIL FOODS & CHEMICALS, INC. (KR) 1995-03-01 EP disclosed
WO-1993014068-A1 NOVEL SALTS OF A QUINOLONE-CARBOXYLIC ACID CHEIL FOODS & CHEMICALS, INC. (KR) 1993-07-22 WO disclosed