SCHEMBL8924569

SCHEMBL8924569

O=C(O)c1[c]c(C(=O)O)ncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
KDM4E B2RXH2 11/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM3A Q9Y4C1 3/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL8924560 0.77 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25382200 0.77 KDM4E (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6698056 0.77 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6196417 0.77 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2779103 0.66 TSHR (0.48) KDM4EALDH1A1NAPRTTDP1ALOX15
SCHEMBL7456442 0.65 MAPK9 (0.36) KDM4EALDH1A1EGLN1SMN1; SMN2L3MBTL1
SCHEMBL7453239 0.65 PTPN11 (0.36) KDM4EKDM3AKDM5AJMJD1CLMNA
SCHEMBL3278665 0.64
SCHEMBL6332776 0.62
SCHEMBL163233 0.62 KDM4E (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed