SCHEMBL5506192

SCHEMBL5506192

CCOC(=O)c1c(CC(=O)O)[nH]c2ccc(Oc3ncccc3C(N)=O)c(-c3ccc(OC(C)C)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
MAPT P10636 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABRQ Q9UN88 1/20 0.37

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
SCHEMBL5501123 0.94 MAPT (0.37) MEN1GABRPGABRDMAPTGABRA1
SCHEMBL5505357 0.86 PDE10A (0.37) MAPTTDP1
SCHEMBL5267628 0.81 PPARD (0.39) MEN1GABRPGABRDMAPTGABRA1
SCHEMBL5501141 0.79 ALDH1A1 (0.37) MEN1GABRPGABRDMAPTGABRA1
SCHEMBL5506161 0.79 BRD4 (0.38) MEN1GABRPGABRDMAPTGABRA1
SCHEMBL5516043 0.76 POLB (0.43) MEN1GABRPGABRDMAPTGABRA1
SCHEMBL5270824 0.75 PTPN1 (0.37) MEN1GABRPGABRDMAPTGABRA1
SCHEMBL5515208 0.74 MAPT (0.38) MEN1GABRPGABRDMAPTGABRA1
SCHEMBL5517754 0.74 POLB (0.36) MEN1GABRPGABRDMAPTGABRA1
SCHEMBL5506461 0.73 ALOX5 (0.40) MEN1GABRPGABRDMAPTGABRA1

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed