SCHEMBL8532

SCHEMBL8532

O=c1cc(-c2cccc(F)c2)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 11/20 1.00
GABRD O14764 11/20 1.00
GABRA1 P14867 11/20 1.00
GABRB1 P18505 11/20 1.00
GABRG2 P18507 11/20 1.00
GABRB3 P28472 11/20 1.00
GABRA5 P31644 11/20 1.00
GABRA3 P34903 11/20 1.00
GABRA2 P47869 11/20 1.00
GABRB2 P47870 11/20 1.00
GABRA4 P48169 11/20 1.00
GABRE P78334 11/20 1.00
GABRA6 Q16445 11/20 1.00
GABRG1 Q8N1C3 11/20 1.00
GABRG3 Q99928 11/20 1.00
GABRQ Q9UN88 11/20 1.00
TNKS O95271 4/20 0.72
PARP1 P09874 3/20 0.72
TNKS2 Q9H2K2 3/20 0.72
CYP1B1 Q16678 2/20 0.71

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
SCHEMBL2426329 0.84 TNKS (1.00) GABRPGABRDGABRA1GABRB1GABRG2
Flavone SCHEMBL18879 0.83 TNKS (1.00) GABRPGABRDGABRA1GABRB1GABRG2
Flavone SCHEMBL31316377 0.83 TNKS (1.00) GABRPGABRDGABRA1GABRB1GABRG2
Flavone SCHEMBL28248986 0.83 TNKS (1.00) GABRPGABRDGABRA1GABRB1GABRG2
Flavone SCHEMBL30542161 0.83 TNKS (1.00) GABRPGABRDGABRA1GABRB1GABRG2
Flavone SCHEMBL15676601 0.83 TNKS (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17786560 0.82 GABRP (0.79) GABRPGABRDGABRA1GABRB1GABRG2
Flavone SCHEMBL8069086 0.82 TNKS (0.96) GABRPGABRDGABRA1GABRB1GABRG2
Flavone SCHEMBL3090011 0.82 TNKS (0.96) GABRPGABRDGABRA1GABRB1GABRG2
Flavone SCHEMBL1660769 0.82 TNKS (0.96) GABRPGABRDGABRA1GABRB1GABRG2

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-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed
US-6046231-A ADMINISTERING A SUFFICIENT AMOUNT OF A CANCER CHEMOPREVENTATIVE COMPOSITION COMPRISING 4'-BROMOFLAVONE TO A MAMMAL IN NEED TO PREVENT, DELAY OR REVERSE A CANCER SENSITIVE TO 4'-BROMOFLAVONE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-04 US disclosed