SCHEMBL8912968

SCHEMBL8912968

O=C(O)Cc1ccnc(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.62
GABRD O14764 2/20 0.62
GABRA1 P14867 2/20 0.62
GABRB1 P18505 2/20 0.62
GABRG2 P18507 2/20 0.62
GABRB3 P28472 2/20 0.62
GABRA5 P31644 2/20 0.62
GABRA3 P34903 2/20 0.62
GABRA2 P47869 2/20 0.62
GABRB2 P47870 2/20 0.62
GABRA4 P48169 2/20 0.62
GABRE P78334 2/20 0.62
GABRA6 Q16445 2/20 0.62
GABRG1 Q8N1C3 2/20 0.62
GABRG3 Q99928 2/20 0.62
GABRQ Q9UN88 2/20 0.62
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46

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
SCHEMBL3412955 0.83 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4595837 0.80 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13541414 0.79 RECQL (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6219254 0.78 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8914656 0.78 GABRA5 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3092847 0.77 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15017735 0.77 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29421806 0.77 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5754940 0.77 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2371002 0.77 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2

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
US-5693819-A Process for the selective mono-ortho-hydroxyalkylation of 4-substituted pyridine derivatives HOECHST ATKIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5259933-A Process for oxidizing hydroxymethylpyridine derivatives to pyridinecarboxylic acid derivatives at nickel oxide hydroxide anodes HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
EP-0533131-A1 Process for selectively mono-ortho-hydroxy alkylation of 4-substituted pyridine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed
EP-0533132-A1 Process for the oxidation of hydroxymethylpyridine derivatives to pyridine carboxylic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed