SCHEMBL27697392

SCHEMBL27697392

CON=C(C(C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1)C(C)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.60
GABRG2 P18507 2/20 0.60
GABRB3 P28472 2/20 0.60
GABRA5 P31644 2/20 0.60
GABRA3 P34903 2/20 0.60
GABRA2 P47869 1/20 0.60
KDR P35968 2/20 0.40
FGFR1 P11362 8/20 0.39
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
HPGD P15428 2/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
F9 P00740 1/20 0.35

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
SCHEMBL2646891 0.85 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652596 0.83 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2651965 0.83 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2651085 0.83 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3767321 0.83 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2667911 0.83 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3769586 0.83 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2648872 0.80 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2650372 0.77 GABRA1 (0.83) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652727 0.77 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3

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
CN-101141958-A Benzimidazole derivatives and their use for modulating GABAAUse of receptor complexes NEUROSEARCH AS (DK) 2008-03-12 CN disclosed