SCHEMBL6019494

SCHEMBL6019494

CC(NCCCC(NC(=O)c1ccc(CNC(C)c2ncc[nH]2)c2ccccc12)C(=O)O)c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.43
FNTB P49356 7/20 0.43
PGGT1B P53609 6/20 0.43
ITGB2 P05107 3/20 0.37
ICAM1 P05362 3/20 0.37
ITGAL P20701 3/20 0.37
C3AR1 Q16581 3/20 0.35
FPR2 P25090 1/20 0.34
FOLH1 Q04609 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 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
SCHEMBL6789479 0.91 FNTA (0.41) FNTAFNTBPGGT1BITGB2ICAM1
SCHEMBL6657754 0.82 CXCR4 (0.41) FNTAFNTBPGGT1B
SCHEMBL6018805 0.79 MAP2K1 (0.40) FPR2ALDH1A1MAPTMMP1MMP3
SCHEMBL6658151 0.78 GAA (0.35) FNTAFNTBPGGT1BALDH1A1POLB
SCHEMBL6657259 0.77 TACR3 (0.41) ALDH1A1MAPTMMP1MMP3MMP7
SCHEMBL6651654 0.76 CXCR4 (0.41) FNTAFNTBPGGT1B
SCHEMBL7024773 0.74 CXCR4 (0.50) FNTAFNTBPGGT1BC3AR1FOLH1
SCHEMBL6648799 0.74 FNTA (0.44) FNTAFNTBPGGT1BITGB2ICAM1
SCHEMBL6652092 0.72 CXCR4 (0.55) FNTAFNTBPGGT1B
SCHEMBL6658356 0.71 CXCR4 (0.37) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed