SCHEMBL8487144

SCHEMBL8487144

CC(=O)Nc1ccc2c(c1)CN(Cc1cncn1Cc1ccc(C#N)cc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.53
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
FNTA P49354 11/20 0.50
FNTB P49356 11/20 0.50
PGGT1B P53609 9/20 0.50
NRAS P01111 1/20 0.49
HRAS P01112 1/20 0.49
ABCB1 P08183 1/20 0.47
DRD2 P14416 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7738283 0.82 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7744226 0.82 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7743768 0.80 FNTA (0.66) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7746075 0.80 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7738189 0.79 FNTA (0.64) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7743534 0.79 FNTA (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7743501 0.79 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
Trichloroethylene SCHEMBL7744216 0.79 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7744148 0.78 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
Tromethamine SCHEMBL8483614 0.78 FNTA (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B

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-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed