SCHEMBL7549488

SCHEMBL7549488

CC(C)c1c(OC#CC2CC2)c2cc(F)ccc2[nH]c1=O.CC(C)c1c(O[Si](C)(C)C(C)(C)C)nc2ccc(F)cc2c1OC#CC1CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.32
PARP1 P09874 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
GABRA1 P14867 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
GABRA4 P48169 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
SCHEMBL7120415 0.91
SCHEMBL7114083 0.84 KDM4E (0.36) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7116752 0.72 SIRT1 (0.40) PARP1
SCHEMBL7122447 0.71 KEAP1 (0.34) PARP1
SCHEMBL7114324 0.70 MPO (0.37) PARP1
SCHEMBL7123408 0.70 AAK1 (0.33)
SCHEMBL7121250 0.68 TSHR (0.41) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7116235 0.67 MPO (0.37) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7114952 0.63 PARP15 (0.40)
SCHEMBL7119320 0.62 PGR (0.40) PARP1GABRA1GABRG2GABRB3GABRA5

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-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed