SCHEMBL30396459

SCHEMBL30396459

COC(=O)c1cc2c(Cl)ccc(Oc3ccccc3)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.54
XDH P47989 2/20 0.49
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
RHEB Q15382 1/20 0.44
HPGD P15428 1/20 0.44
ESRRA P11474 1/20 0.43
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
FFAR1 O14842 1/20 0.40
TTR P02766 1/20 0.40
FBP1 P09467 2/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL24189649 1.00 BRD4 (0.54) BRD4XDHGLAGAAKDM4E
SCHEMBL30396542 0.87 HPGD (0.51) BRD4KDM4EHSD17B10RHEBHPGD
SCHEMBL24189547 0.87 HPGD (0.51) BRD4KDM4EHSD17B10RHEBHPGD
SCHEMBL8324363 0.84 GAA (0.60) BRD4XDHGLAGAAKDM4E
SCHEMBL30396083 0.82 RHEB (0.47) GLAGAAKDM4EHSD17B10RHEB
SCHEMBL8319918 0.81 GLA (0.48) BRD4XDHGLAGAAKDM4E
SCHEMBL7881844 0.81 RHEB (0.44) BRD4GAAKDM4ERHEBHPGD
SCHEMBL8323011 0.80 GAA (0.44) BRD4XDHGLAGAAKDM4E
SCHEMBL7881841 0.79 RHEB (0.45) BRD4KDM4ERHEBHPGDESRRA
SCHEMBL1277561 0.78 XDH (0.59) BRD4XDHGLAGAAKDM4E

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-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed