SCHEMBL2591449

SCHEMBL2591449

O=C1C2=CC=CCC2=Cc2cc3ccccc3cc21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 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
SCHEMBL6569824 0.88
SCHEMBL3707104 0.81 CDC25B (0.41)
SCHEMBL989080 0.75 BACE1 (0.47) GAPDH
SCHEMBL5613103 0.73
SCHEMBL795788 0.72 MEN1 (0.30)
SCHEMBL710125 0.71 PTGS2 (0.34)
SCHEMBL30502984 0.71 PTGS2 (0.34)
SCHEMBL26205055 0.69 CDC25B (0.44) GAPDH
SCHEMBL27800017 0.69 PTGS2 (0.33)
SCHEMBL2591450 0.69 NPC1 (0.31)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328851-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES Bristol-Myers Squibb Company (US) 2018-06-06 EP disclosed
WO-2017019819-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-02 WO disclosed
EP-2566869-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE Gilead Connecticut, Inc. (US) 2013-03-13 EP disclosed
WO-2011140488-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2011-11-10 WO disclosed
US-5089374-A Novel bis-onium salts and the use thereof as photoinitiators EASTMAN KODAK COMPANY (US) 1992-02-18 US disclosed