SCHEMBL7970458

SCHEMBL7970458

Cn1cncc1C(C)(N)c1ccc(C#N)c(Oc2ccc3ccccc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 0.60
FNTB P49356 19/20 0.60
PGGT1B P53609 18/20 0.60
CYP19A1 P11511 1/20 0.40

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
Hydrochloric Acid SCHEMBL3502107 0.99 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3499068 0.88 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL3500640 0.78 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL7676910 0.77 FNTA (0.91) FNTAFNTBPGGT1B
SCHEMBL3499123 0.77 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7676934 0.76 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7676151 0.76 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL7222091 0.75 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL3502212 0.75 PGGT1B (0.56) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3501674 0.75 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1

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-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed