SCHEMBL8325174

SCHEMBL8325174

CC(C)(C)OC(=O)c1ccc(C#Cc2cnc[nH]c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.45
GABRG2 P18507 5/20 0.45
GABRB3 P28472 5/20 0.45
GABRA3 P34903 5/20 0.45
GABRA2 P47869 5/20 0.45
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GABRA5 P31644 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRA4 P48169 2/20 0.35
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
ELANE P08246 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CRBN Q96SW2 1/20 0.34
PDK2 Q15119 1/20 0.34
ACACB O00763 1/20 0.33

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
SCHEMBL8321963 0.73 CA12 (0.39) CA12CA1CA2CA9CA14
SCHEMBL9805714 0.71 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL18897552 0.71 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9805558 0.70 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6261648 0.70 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6261643 0.70 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL31541855 0.70 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL22702371 0.70 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6258711 0.69 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9805515 0.69 CA12 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed