SCHEMBL7500481

SCHEMBL7500481

CCCc1c(OCc2ccc(OC)cc2)nc2ccc(Cl)cc2c1OC#CC1CC1.CCCc1c(OCc2ccc(OC)cc2)nc2ccc(Cl)cc2c1OCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.33
HRH4 Q9H3N8 3/20 0.33
ADORA3 P0DMS8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 2/20 0.31
PLA2G2A P14555 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL7117483 0.93 HRH4 (0.37) HRH4ADORA3KDM4ERXFP1POLB
SCHEMBL7116489 0.90 RORC (0.39) RORCHRH4ADORA3KDM4ERXFP1
SCHEMBL7546795 0.81 CNR1 (0.39) POLB
SCHEMBL7116100 0.58 SIRT1 (0.45) KDM4EGAATSHR
SCHEMBL27162828 0.57 AR (0.44) HRH4
SCHEMBL20565236 0.56 AR (0.43) HRH4
SCHEMBL3375196 0.55 PDE2A (0.40) KDM4EGAA
SCHEMBL9998340 0.54 MAPT (0.45) KDM4EGAA
SCHEMBL11866171 0.54 ACHE (0.37) RORCHRH4POLBAURKAAURKB
SCHEMBL29937168 0.54 CNR2 (0.40) HRH4

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