SCHEMBL7300758

SCHEMBL7300758

N#Cc1ccc2c([O])ccc(C#N)c2c1C#N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.31
▸ AR P10275 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL7299363 0.76 UPP1 (0.34) PGRARKDM4EALDH1A1GAA
SCHEMBL7306715 0.76 CA1 (0.41) KDM4EALDH1A1GAAMAPT
SCHEMBL7302562 0.74 CA1 (0.39) PGRARKDM4EALDH1A1GAA
SCHEMBL20690651 0.73 AR (0.42) PGRARKDM4EALDH1A1GAA
SCHEMBL5250323 0.72 KDM4E (0.34) PGRARKDM4EALDH1A1GAA
SCHEMBL5250325 0.72 ANPEP (0.32) PGRAR
SCHEMBL12310191 0.71 AR (0.41) PGRARKDM4EALDH1A1GAA
SCHEMBL152358 0.69 TSHR (0.39) PGRARKDM4EALDH1A1GAA
SCHEMBL31399295 0.69 TSHR (0.39) PGRARKDM4EALDH1A1GAA
SCHEMBL7295000 0.69 UPP1 (0.35) PGRARKDM4EALDH1A1GAA

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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 — — US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 — — EP disclosed
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