SCHEMBL7859680

SCHEMBL7859680

CC(C)(C)Nc1nc(NCc2ccccc2)c(C#N)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.53
ALDH1A1 P00352 10/20 0.53
GAA P10253 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 5/20 0.51
HPGD P15428 7/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HSD17B10 Q99714 2/20 0.47
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
CHUK O15111 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HIF1A Q16665 2/20 0.41
POLB P06746 1/20 0.41

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 0.87 LMNA (0.43) KDM4EALDH1A1GAANPSR1MAPK1
SCHEMBL7172248 0.82 HDAC4 (0.45) GAAMAPK1L3MBTL1MAPTLMNA
SCHEMBL4404061 0.76 HTT (0.53) KDM4EALDH1A1GAANPSR1RXFP1
SCHEMBL15809873 0.74 LMNA (0.53) KDM4EALDH1A1GAANPSR1MAPK1
SCHEMBL7175055 0.74 SIRT5 (0.49) KDM4EALDH1A1NPSR1MAPTGSK3A
SCHEMBL7859690 0.73 KHK (0.45) KDM4EALDH1A1GAARXFP1HTT
SCHEMBL7857463 0.73 KHK (0.53) KDM4EALDH1A1GAANPSR1SMN1; SMN2
SCHEMBL15831843 0.72 KDM4E (0.61) KDM4EALDH1A1GAANPSR1RXFP1
SCHEMBL30656125 0.72 KDM4E (0.58) KDM4EALDH1A1GAANPSR1RXFP1
SCHEMBL2526767 0.71 KDM4E (0.51) KDM4EALDH1A1GAANPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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