SCHEMBL30396451

SCHEMBL30396451

O=C(O)c1cc2c(Cl)cc(Oc3ccccc3)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 10/20 0.63
GRIN1 Q05586 3/20 0.59
KMT2A Q03164 3/20 0.56
EIF4A3 P38919 1/20 0.52
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
GPR17 Q13304 1/20 0.44

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
SCHEMBL20536129 0.87 XDH (0.60) RHEBGRIN1KMT2AEIF4A3KDM4E
SCHEMBL30395343 0.87 XDH (0.60) RHEBGRIN1KMT2AEIF4A3KDM4E
SCHEMBL20536179 0.83 RHEB (0.63) RHEBGRIN1KMT2AKDM4EHSD17B10
SCHEMBL7879891 0.80 RHEB (0.50) RHEBGRIN1KMT2AEIF4A3GPR17
SCHEMBL20536067 0.79 RHEB (0.81) RHEBGRIN1KMT2AKDM4ELMNA
SCHEMBL20536585 0.78 RHEB (1.00) RHEBGRIN1KMT2AEIF4A3KDM4E
SCHEMBL20536254 0.77 RHEB (1.00) RHEB
SCHEMBL20536026 0.77 RHEB (0.77) RHEBGRIN1KMT2ACYP2C9BLM
SCHEMBL8867831 0.76 KMT2A (0.55) RHEBGRIN1KMT2AKDM4EHSD17B10
SCHEMBL29531428 0.75 GRIN1 (1.00) RHEBGRIN1KMT2AEIF4A3KDM4E

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
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed