SCHEMBL7168997

SCHEMBL7168997

CCOC(=O)c1cn(-c2ccc(F)c(NC(C)(C)C)n2)c2c(Br)c(F)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.47
HTT P42858 1/20 0.42
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.38
ADRB2 P07550 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
P2RX3 P56373 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ROCK2 O75116 1/20 0.33
CDK1 P06493 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL7168101 0.90 STAT3 (0.47) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL2919164 0.88 STAT3 (0.48) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL7171849 0.81 STAT3 (0.55) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL2921621 0.79 STAT3 (0.49) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL2919748 0.79 STAT3 (0.49) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL2925163 0.78 STAT3 (0.48) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL2916260 0.77 STAT3 (0.47) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL7177622 0.76 STAT3 (0.46) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL9182790 0.76 STAT3 (0.53) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL6950022 0.75 CYP2C9 (0.43) HTTKDM4EHPGDKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952151-B1 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
EP-0911327-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2001-12-05 EP disclosed
US-6156903-A Pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
US-6133284-A EXCELLENT BACTERICIDAL PROPERTIES AND ORAL ABSORPTION; INFECTIONS FROM GRAMNEGATIVE AND -POSITIVE BACTERIA; INTESTINAL ABSORPTION, METABOLIC STABILITY; SIDE EFFECT REDUCTION; NONPHOTOTOXICITY AND NONCYTOTOXICITY WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0992501-A2 Pyridonecarboxylic acid derivatives as antibacterial agents WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
US-5998436-A Pyridonecarboxylic acid derivatives or their salts and antibacterial agent comprising the same as the active ingredient WAKUNAGA PHARMACEUTICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0952151-A2 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-10-27 EP disclosed
EP-0911327-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed