SCHEMBL3457708

SCHEMBL3457708

C=CCc1ccc2c(c1)nnn2O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 0.52
TCF7L2 Q9NQB0 1/20 0.51
PKM P14618 1/20 0.47
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
XDH P47989 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GABRA1 P14867 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
GABRB2 P47870 2/20 0.42
ALDH2 P05091 1/20 0.42

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
SCHEMBL22500208 0.78 CTNNB1 (0.56) CTNNB1TCF7L2PKMPOLBMAPK1
SCHEMBL3280470 0.74 CTNNB1 (0.59) CTNNB1TCF7L2PKMPOLBMAPK1
SCHEMBL16863946 0.70 PKM (0.58) CTNNB1TCF7L2PKMPOLBMAPK1
SCHEMBL15185533 0.69 CTNNB1 (0.60) CTNNB1TCF7L2PKMPOLBMAPK1
SCHEMBL9525318 0.69 CYP11B1 (0.51) CTNNB1
SCHEMBL15185524 0.69 CTNNB1 (1.00) CTNNB1TCF7L2PKMMAPT
SCHEMBL3676899 0.68 PKM (0.56) CTNNB1TCF7L2PKMPOLBMAPK1
SCHEMBL3279838 0.68 PKM (0.56) CTNNB1TCF7L2PKMPOLBMAPK1
Water SCHEMBL5279559 0.68 PKM (0.56) CTNNB1TCF7L2PKMPOLBMAPK1
SCHEMBL3282304 0.68 PKM (0.56) CTNNB1TCF7L2PKMPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863952-B1 COMPOSITION AND PROCESS FOR PREPARING PROTECTIVE COATINGS ON METAL SUBSTRATES US NAVY (US) 2013-03-06 EP disclosed
US-7811391-B2 Composition and process for preparing protective coatings on metal substrates THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2010-10-12 US disclosed
US-20060237098-A1 Composition and process for preparing protective coatings on metal substrates UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2006-10-26 US disclosed