SCHEMBL8107049

SCHEMBL8107049

CCCCC1CN(C(=O)c2cccc3ccccc23)CCN1C(Cc1ccc(F)cc1)c1cnc[nH]1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.60
FNTB P49356 16/20 0.60
PGGT1B P53609 1/20 0.39
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3501264 1.00 FNTA (0.60) FNTAFNTBPGGT1BPARP1PARP2
Trifluoroacetic Acid SCHEMBL8455766 0.96 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL3501071 0.93 FNTA (0.61) FNTAFNTBPGGT1BALDH1A1LMNA
SCHEMBL7912668 0.92 FNTA (0.60) FNTAFNTBPGGT1BALDH1A1LMNA
SCHEMBL3501187 0.92 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL3502717 0.92 FNTA (0.60) FNTAFNTBPGGT1BALDH1A1LMNA
SCHEMBL8121176 0.92 FNTA (0.60) FNTAFNTBPGGT1BALDH1A1LMNA
SCHEMBL3499566 0.92 FNTA (0.60) FNTAFNTBPGGT1BALDH1A1LMNA
SCHEMBL3499735 0.92 FNTA (0.58) FNTAFNTBPGGT1BALDH1A1LMNA
SCHEMBL3499844 0.91 FNTA (0.59) FNTAFNTBPGGT1BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 EP claimed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 WO claimed