Sugi Predict

Sugi Predict / Compounds / SCHEMBL8205752

SCHEMBL8205752

SCHEMBL8205752

NC(=O)CC[C@H](NC(=O)c1ccc(C=C(Cn2ccnc2)c2nccs2)cc1-c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 9/20 0.45
▸ FNTB P49356 9/20 0.45
▸ PGGT1B P53609 1/20 0.45
▸ AGTR2 P50052 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL8383788 1.00 FNTA (0.45) FNTAFNTBPGGT1BAGTR2CYP3A4
SCHEMBL8205645 0.89 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL8198535 0.89 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL8206718 0.87 AGTR2 (0.44) AGTR2
SCHEMBL8206727 0.87 AGTR2 (0.44) AGTR2
SCHEMBL7706173 0.84 FNTA (0.51) FNTAFNTB
SCHEMBL7706180 0.84 FNTA (0.51) FNTAFNTB
SCHEMBL7703365 0.84 FNTA (0.48) FNTAFNTB
SCHEMBL7703362 0.84 FNTA (0.48) FNTAFNTB
SCHEMBL7706068 0.83 FNTA (0.40) FNTAFNTBPGGT1BCYP3A4CYP2D6

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-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 — — EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 — — WO disclosed