SCHEMBL8928431

SCHEMBL8928431

O=C1CN=C(c2ccccc2Cl)c2cc(C(=O)O)sc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.54
GABRA5 P31644 5/20 0.54
GABRA3 P34903 5/20 0.54
GABRA2 P47869 5/20 0.54
GABRB2 P47870 5/20 0.54
GABRG2 P18507 4/20 0.54
GABRB3 P28472 4/20 0.54
GABRP O00591 3/20 0.54
GABRD O14764 3/20 0.54
GABRB1 P18505 3/20 0.54
GABRA4 P48169 3/20 0.54
GABRE P78334 3/20 0.54
GABRA6 Q16445 3/20 0.54
GABRG1 Q8N1C3 3/20 0.54
GABRG3 Q99928 3/20 0.54
GABRQ Q9UN88 3/20 0.54
ADRA1A P35348 2/20 0.48
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7315953 0.84 GABRA1 (0.60) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5432261 0.82 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9384372 0.82 GABRA1 (0.57) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9672477 0.80 GABRA1 (0.52) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8668139 0.79 GAA (0.65) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9674417 0.79 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9674505 0.76 GABRA1 (0.47) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL10045709 0.75 GABRA1 (0.72) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9379921 0.75 GABRA1 (0.57) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9672107 0.75 GABRA1 (0.55) GABRA1GABRA5GABRA3GABRA2GABRB2

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
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed