SCHEMBL11080247

SCHEMBL11080247

O=C(O)NCc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.45
GABRA1 P14867 4/20 0.45
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
GABRA3 P34903 3/20 0.45
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL11088100 0.84 GABRA1 (0.48) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11082815 0.80 GABRA1 (0.67) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11084794 0.77 GABRA1 (0.49) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11082165 0.75 HPGD (0.44) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11083107 0.73 HPGD (0.43) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11087109 0.71 GABRA5 (0.43) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11081745 0.71 MEN1 (0.37) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11838601 0.70 GABRA1 (0.71) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11705443 0.68 GABRA1 (0.76) GABRA5GABRA1GABRA2GABRB2GABRA3
SCHEMBL11603285 0.67 GABRA1 (0.74) GABRA5GABRA1GABRA2GABRB2GABRA3

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
US-4464300-A PSYCHOTROPIC, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1984-08-07 US disclosed