SCHEMBL7869003

SCHEMBL7869003

COC(=O)c1ccc(CN(CCC2CCCCC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP3 P08254 1/20 0.42
STAT3 P40763 2/20 0.41
MMP1 P03956 5/20 0.40
MMP2 P08253 5/20 0.40
MMP9 P14780 5/20 0.40
MMP8 P22894 5/20 0.40
MMP13 P45452 5/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
BMP1 P13497 1/20 0.39

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
SCHEMBL7862505 0.91 STAT3 (0.48) MAPK1SMN1; SMN2FNTAFNTBALDH1A1
SCHEMBL7869174 0.91 MMP3 (0.45) FNTAFNTBMMP3STAT3MAPT
SCHEMBL7862520 0.90 MMP3 (0.46) FNTAFNTBKMT2AMMP3STAT3
SCHEMBL7862519 0.90 MMP3 (0.54) FNTAFNTBMMP3HTR2AHTR2C
SCHEMBL7862459 0.88 FNTA (0.48) FNTAFNTBMMP3STAT3
SCHEMBL7862462 0.87 FNTA (0.44) FNTAFNTBMMP3STAT3
SCHEMBL7874248 0.85 FNTA (0.58) FNTAFNTB
SCHEMBL6627283 0.83 FNTA (0.67) FNTAFNTB
SCHEMBL628907 0.82 FNTA (0.49) FNTAFNTBMMP3
SCHEMBL7874245 0.82 STAT3 (0.48) FNTAFNTBSTAT3

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-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed