SCHEMBL7899820

SCHEMBL7899820

CC(C)c1ccc2c(nnn2O)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PKM P14618 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL3283355 0.77 POLB (0.37) POLBMAPK1ATMPKMLMNA
SCHEMBL3278058 0.77 MAPK1 (0.39) POLBMAPK1ATMPKMLMNA
SCHEMBL3280154 0.70 POLB (0.37) POLBMAPK1ATMPKMLMNA
SCHEMBL3279246 0.67 PKM (0.38) POLBMAPK1ATMPKMLMNA
SCHEMBL27317473 0.66 GABRA1 (0.42) LMNA
SCHEMBL3282850 0.66 GRM2 (0.50) POLBMAPK1ATMPKMLMNA
SCHEMBL3285305 0.66 MAPK1 (0.37) POLBMAPK1ATMPKMLMNA
Water SCHEMBL1707999 0.64 POLB (0.43) POLBMAPK1ATMLMNAMAPT
SCHEMBL3285240 0.63 PKM (0.53) POLBMAPK1ATMPKM
SCHEMBL24296936 0.62 TRPA1 (0.32) LMNA

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-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 — — US disclosed
CN-1205366-A System for electrochemical delignification of lignincontaining materials and process for its application CONSORTIUM FURE ELEKTROCHEMISC (DE) 1999-01-20 — — CN disclosed
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