SCHEMBL3682663

SCHEMBL3682663

COCCC1CN(c2cccc(C)c2C)C(=O)CN1C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.48
FNTB P49356 12/20 0.48
PGGT1B P53609 1/20 0.48
CYP19A1 P11511 2/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
KCNH2 Q12809 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3499540 1.00 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1GAA
Trifluoroacetic Acid SCHEMBL7751305 0.95 FNTA (0.44) FNTAFNTBPGGT1BCYP19A1NR1H4
SCHEMBL445626 0.90 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL3687066 0.90 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1ADRA2A
SCHEMBL5553376 0.86 FNTA (0.40) FNTAFNTBPGGT1BCYP19A1GAA
Trifluoroacetic Acid SCHEMBL8147178 0.85 FNTA (0.54) FNTAFNTBPGGT1BCYP19A1
SCHEMBL445939 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4
SCHEMBL5131468 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4
Hydrochloric Acid SCHEMBL8160943 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4
Hydrochloric Acid SCHEMBL8541088 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4

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
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed