SCHEMBL30396705

SCHEMBL30396705

COC(=O)c1cc2c(Cl)cc(OCc3ccccc3)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.47
SRD5A2 P31213 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RHEB Q15382 3/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
LMNA P02545 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
ULK1 O75385 1/20 0.44
XDH P47989 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
SCHEMBL7873743 0.89 GABRA1 (0.51) FLT3SRD5A2ALDH1A1HSD17B10HPGD
SCHEMBL7168633 0.87 SRD5A2 (0.56) FLT3SRD5A2ALDH1A1HSD17B10HPGD
SCHEMBL30396518 0.86 SRD5A2 (0.52) FLT3SRD5A2ALDH1A1HSD17B10HPGD
SCHEMBL28589083 0.84 FLT3 (0.45) FLT3SRD5A2ALDH1A1HSD17B10HPGD
SCHEMBL28593849 0.83 SRD5A2 (0.49) FLT3SRD5A2ALDH1A1HSD17B10HPGD
SCHEMBL20536129 0.83 XDH (0.60) FLT3ALDH1A1HPGDKDM4EMEN1
SCHEMBL30395343 0.83 XDH (0.60) FLT3ALDH1A1HPGDKDM4EMEN1
SCHEMBL28593832 0.82 ULK1 (0.69) FLT3SRD5A2ALDH1A1HSD17B10HPGD
SCHEMBL7194638 0.81 SRD5A2 (0.55) FLT3SRD5A2ALDH1A1HSD17B10HPGD
SCHEMBL19331121 0.80 ULK1 (0.53) FLT3ALDH1A1HSD17B10HPGDKDM4E

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