SCHEMBL4650667

SCHEMBL4650667

C#Cc1ccc(N(c2ccc(C#C)cc2)c2ccccc2C#C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 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
Benzene SCHEMBL29259900 0.86 ALDH1A1 (0.37)
SCHEMBL27569931 0.86 ALDH1A1 (0.37)
SCHEMBL1478593 0.81 MAOB (0.31)
SCHEMBL2433973 0.77 ALDH1A1 (0.50) HDAC8CA12CA1CA2CA4
SCHEMBL20969982 0.77 ALDH1A1 (0.50) HDAC8CA12CA1CA2CA4
SCHEMBL22870228 0.77 ALDH1A1 (0.50) HDAC8CA12CA1CA2CA4
Pyridine SCHEMBL29260181 0.77 HDAC8 (0.32) HDAC8
SCHEMBL1478591 0.76 HDAC8 (0.43) HDAC8CA12CA1CA2CA4
SCHEMBL1053940 0.76 HDAC8 (0.36) HDAC8
SCHEMBL1040765 0.75 PYCR1 (0.32)

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-1973922-A2 FLUORESCENT COMPOUNDS AND USE OF SAID COMPOUNDS IN MULTIPHOTON METHODS OR DEVICES Universite de Rennes 1 (FR) 2008-10-01 EP disclosed
WO-2007074174-A2 FLUORESCENT COMPOUNDS AND USE OF SAID COMPOUNDS IN MULTIPHOTON METHODS OR DEVICES UNIVERSITE DE RENNES 1 (FR) 2007-07-05 WO disclosed