SCHEMBL8144243

SCHEMBL8144243

Nc1ccc2c(c1)OCc1cncn1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
MAP3K5 Q99683 2/20 0.34
GABRA1 P14867 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 2/20 0.31
KMT2A Q03164 2/20 0.31
NR4A1 P22736 1/20 0.31
PTK2B Q14289 1/20 0.31

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
SCHEMBL14878375 0.83 GABRA5 (0.39) GABRA5GABRG2GABRB3MAP3K5GABRA1
SCHEMBL12691838 0.79 GABRA5 (0.41) GABRA5GABRG2GABRB3MAP3K5GABRA1
SCHEMBL3959344 0.78 GABRG2 (0.44) GABRA5GABRG2GABRB3MAP3K5GABRA1
SCHEMBL8122644 0.75 LMNA (0.37) MAPTGAASMN1; SMN2LMNAKDM4E
SCHEMBL20085591 0.73 MAPT (0.33) CYP11B2MAPTGAASMN1; SMN2LMNA
SCHEMBL8125926 0.70 F10 (0.41) MAPTGAASMN1; SMN2LMNAKDM4E
SCHEMBL31481226 0.67 CYP11B2 (0.53) GABRA5GABRG2GABRB3GABRA1CYP11B1
SCHEMBL520359 0.67 CYP11B2 (0.53) GABRA5GABRG2GABRB3GABRA1CYP11B1
SCHEMBL14980087 0.67 CYP19A1 (0.38) GABRA5GABRG2GABRB3CYP11B1CYP11B2
SCHEMBL14878379 0.67 MAP3K5 (0.31) GABRA5GABRG2GABRB3MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054889-A1 NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES Bayer Aktiengesellschaft (DE) 2000-11-29 EP disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed