SCHEMBL9564907

SCHEMBL9564907

CC(C)(C)c1nc(O)ncc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
GABRP O00591 4/20 0.37
GABRD O14764 4/20 0.37
GABRA1 P14867 4/20 0.37
GABRB1 P18505 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA2 P47869 4/20 0.37
GABRB2 P47870 4/20 0.37
GABRA4 P48169 4/20 0.37
GABRE P78334 4/20 0.37
GABRA6 Q16445 4/20 0.37
GABRG1 Q8N1C3 4/20 0.37
GABRG3 Q99928 4/20 0.37
GABRQ Q9UN88 4/20 0.37
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 3/20 0.36
KDM6B O15054 1/20 0.34

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
SCHEMBL9564859 0.81 XPO1 (0.46) KDM4EASPH
SCHEMBL21341341 0.81 HPGD (0.39) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL1015354 0.81 HPGD (0.42) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL8398359 0.79 NFKB1 (0.43) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL4900420 0.77 KDM4E (0.55) HPGDKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8546294 0.75 HPGD (0.59) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL152156 0.74 HPGD (0.40) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL9564909 0.74
SCHEMBL15483441 0.72 ALDH1A1 (0.36) KDM4EALDH1A1TDP1
Water SCHEMBL2745045 0.72 HPGD (0.39) HPGDGABRPGABRDGABRA1GABRB1

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-0569912-A1 4-alkyl-substituted pyrimidine-5-carboxanilides, process for their preparation, compositions containing them and their use as fungicides Hoechst Schering AgrEvo GmbH (DE) 1993-11-18 EP disclosed