SCHEMBL2648918

SCHEMBL2648918

CC(=NO)c1ccc2c(c1)ncn2-c1cccc(-c2ccc[n+]([O-])c2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
FGFR1 P11362 4/20 0.45
HPGD P15428 14/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2649002 0.88 FGFR1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2650743 0.87 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2648731 0.81 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762043 0.77 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762041 0.77 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2655078 0.76 HPGD (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12777173 0.76 FGFR1 (0.65) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8182561 0.70 FGFR1 (0.51) FGFR1HPGDALDH1A1NPC1RAB9A
SCHEMBL2647940 0.70 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2667911 0.70 GABRA1 (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023286-A1 BENZIMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-02 EP claimed
WO-1999019323-A1 BENZIMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 1999-04-22 WO claimed
EP-1023286-A1 BENZIMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-02 EP disclosed
WO-1999019323-A1 BENZIMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS AND THEIR USE NEUROSEARCH A/S (DK) 1999-04-22 WO disclosed