SCHEMBL21811818

SCHEMBL21811818

O=CCc1c(Br)ccc(Cl)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
ERN1 O75460 3/20 0.34
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
MEP1A Q16819 1/20 0.32
MEP1B Q16820 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
ERBB2 P04626 1/20 0.31
CYP1A2 P05177 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
PGR P06401 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL21812009 0.84 DPP4 (0.39) DPP4ERN1MEP1AMEP1BMEN1
SCHEMBL15758760 0.81 GABRA1 (0.35) DPP4MEN1NPC1USP2EGFR
SCHEMBL21811819 0.81 CYP3A4 (0.37) DPP4ERN1MEP1AMEP1BMEN1
SCHEMBL21811824 0.78 ERN1 (0.36) DPP4ERN1MEP1AMEP1BMEN1
SCHEMBL21356079 0.78
SCHEMBL21822850 0.75 HTR3E (0.36) DPP4MEP1BMEN1LMNAMAPT
SCHEMBL29017433 0.73 MEN1 (0.35) DPP4CXCR1CXCR2MEN1NPC1
SCHEMBL30434915 0.73 MEN1 (0.35) DPP4CXCR1CXCR2MEN1NPC1
SCHEMBL22492704 0.71 ERN1 (0.55) DPP4ERN1CXCR1CXCR2MEN1
SCHEMBL21175835 0.70 ERN1 (0.32) ERN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894402-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-20 EP disclosed
EP-3860984-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
EP-3849966-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP disclosed
WO-2020120528-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
WO-2020070088-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-09 WO disclosed
WO-2020053249-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO disclosed