SCHEMBL7172248

SCHEMBL7172248

CC(C)(C)Nc1nc(NCc2ccccc2)c(Cl)cc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
APP P05067 2/20 0.42
PDE5A O76074 1/20 0.42
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SLC2A1 P11166 1/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CDK1 P06493 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7168226 0.89 LMNA (0.43) POLBMAPTLMNAGAAMAPK1
SCHEMBL7859680 0.82 KDM4E (0.53) POLBMAPTLMNAGAAMAPK1
SCHEMBL15809873 0.76 LMNA (0.53) APPPDE5APOLBMAPTLMNA
SCHEMBL7175055 0.76 SIRT5 (0.49) MAPTCDK2CDK1
SCHEMBL7171651 0.73 BCHE (0.50) APPPDE5APOLBMAPTLMNA
SCHEMBL7859660 0.72 GLP1R (0.41) POLBLMNASMN1; SMN2CCNE2CCNE1
SCHEMBL19312660 0.72 MEN1 (0.49) HDAC4APPPDE5AGAAMAPK1
SCHEMBL7172459 0.70 LMNA (0.50) APPPDE5APOLBMAPTLMNA
SCHEMBL7857482 0.70 CA12 (0.40) APPPDE5APOLBMAPTLMNA
SCHEMBL7170682 0.69 GLP1R (0.39) POLBLMNASMN1; SMN2CCNE2CCNE1

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