SCHEMBL7960947

SCHEMBL7960947

Cc1cccc(CC2(COC(=O)C(F)(F)F)CCN(Cc3cnc(C)n3Cc3ccc(C#N)cc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.56
FNTB P49356 13/20 0.56
PGGT1B P53609 13/20 0.56
CYP3A4 P08684 4/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 5/20 0.38
CYP2D6 P10635 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.37
HPGD P15428 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
Trifluoroacetic Acid SCHEMBL7841379 0.88 FNTA (0.53) FNTAFNTBPGGT1BCYP3A4MAPK1
SCHEMBL7840536 0.87 FNTA (0.54) FNTAFNTBPGGT1BCYP3A4MAPK1
Trifluoroacetic Acid SCHEMBL7850384 0.86 FNTA (0.56) FNTAFNTBPGGT1BCYP3A4MAPK1
SCHEMBL7839865 0.85 FNTA (0.53) FNTAFNTBPGGT1BMAPK1ALDH1A1
Trifluoroacetic Acid SCHEMBL7830252 0.84 FNTA (0.54) FNTAFNTBPGGT1BCYP3A4MAPK1
SCHEMBL7840048 0.82 FNTA (0.56) FNTAFNTBPGGT1BCYP3A4MAPK1
SCHEMBL7974415 0.81 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4MAPK1
SCHEMBL7960854 0.80 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL7838097 0.80 FNTA (0.55) FNTAFNTBPGGT1BMAPK1ALDH1A1
SCHEMBL7843579 0.80 FNTA (0.53) FNTAFNTBPGGT1BCYP3A4MAPK1

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-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed