SCHEMBL7172045

SCHEMBL7172045

CC(C)(C)Nc1nc(F)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CDK2 P24941 13/20 0.35
CCNE2 O96020 12/20 0.35
CCNE1 P24864 12/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35
CDK4 P11802 6/20 0.34
CCND1 P24385 6/20 0.34
GLP1R P43220 2/20 0.33
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7859660 0.82 GLP1R (0.41) LMNAPOLBHTTCDK2CCNE2
SCHEMBL2914288 0.80 CDK2 (0.35) LMNAPOLBHTTCDK2CCNE2
SCHEMBL7171839 0.76 APP (0.33) LMNAPOLBSMN1; SMN2MAPT
SCHEMBL12933348 0.75 NUDT1 (0.40)
SCHEMBL7858360 0.75 POLB (0.36) POLBGLP1RSMN1; SMN2MAPT
SCHEMBL7168226 0.73 LMNA (0.43) LMNAPOLBHTTCDK2CCNE2
Alcohol SCHEMBL27466006 0.73 SLC29A1 (0.33) LMNAPOLBHTTCDK2CCNE2
SCHEMBL7170682 0.72 GLP1R (0.39) LMNAPOLBHTTCDK2CCNE2
SCHEMBL5400854 0.71 MAPT (0.32) LMNASMN1; SMN2MAPT
SCHEMBL7172047 0.71 PDE10A (0.36) GLP1R

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 9 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-0992501-B1 Pyridonecarboxylic acid derivatives as antibacterial agents WAKUNAGA PHARMA CO LTD (JP) 2002-08-28 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