SCHEMBL4950652

SCHEMBL4950652

O=C(O)c1ncn2c1Cn1nc(-c3ccccc3)nc1-c1cc(Cl)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.52
GABRB3 P28472 12/20 0.52
GABRA5 P31644 12/20 0.52
GABRA1 P14867 7/20 0.49
GABRA3 P34903 7/20 0.49
GABRA2 P47869 7/20 0.49
GABRA6 Q16445 5/20 0.49
GABRA4 P48169 2/20 0.49
GABRB2 P47870 1/20 0.47
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3571594 0.88 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3872242 0.87 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5188935 0.86 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2823551 0.82 GABRG2 (0.52) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2824528 0.80 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3571855 0.80 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3871120 0.79 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3574483 0.77 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3872594 0.76 SMN1; SMN2 (0.48) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6809989 0.75 OPRK1 (0.57) GABRG2GABRB3GABRA5GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809297-B1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed