SCHEMBL4657366

SCHEMBL4657366

Nc1c(Br)cccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.40
KDM4E B2RXH2 1/20 0.34
SCN9A Q15858 4/20 0.34
FFAR1 O14842 1/20 0.33
CYP2C9 P11712 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
GAA P10253 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 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
SCHEMBL2848722 0.79 MPL (0.41) MPLKDM4ESCN9AHCAR1ALOX5AP
SCHEMBL29471353 0.79 HTR7 (0.38) SCN9APOLBNPSR1CA1CA2
SCHEMBL615592 0.79 HTR7 (0.38) SCN9APOLBNPSR1CA1CA2
SCHEMBL16184453 0.78 MPL (0.44) MPLKDM4ESCN9AKCNK3KCNK9
SCHEMBL25310703 0.76 KDM4E (0.34) MPLKDM4ESCN9AKCNK3KCNK9
SCHEMBL5733587 0.76 HSD11B1 (0.36) MPLKDM4ESCN9AHCAR1KCNK3
SCHEMBL30010792 0.76 MRGPRX4 (0.38) MPLKDM4ESCN9A
SCHEMBL10874519 0.76 MRGPRX4 (0.38) MPLKDM4ESCN9A
SCHEMBL10417860 0.76 MPL (0.43) MPLKDM4ESCN9APOLBGAA
SCHEMBL21603543 0.76 GRIA1 (0.42) MPLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999096-A2 PROCESS FOR THE PREPARATION OF 1-BROMO-3-TRIFLUOROMETHOXYBENZENE MITENI S.p.A. (IT) 2008-12-10 EP claimed
WO-2007107820-A2 PROCESS FOR THE PREPARATION OF 1-BROMO-3-TRIFLUOROMETHOXYBENZENE MITENI S.P.A. (IT) 2007-09-27 WO claimed
EP-1999096-A2 PROCESS FOR THE PREPARATION OF 1-BROMO-3-TRIFLUOROMETHOXYBENZENE MITENI S.p.A. (IT) 2008-12-10 EP disclosed
WO-2007107820-A2 PROCESS FOR THE PREPARATION OF 1-BROMO-3-TRIFLUOROMETHOXYBENZENE MITENI S.P.A. (IT) 2007-09-27 WO disclosed
WO-2007107820-A2 PROCESS FOR THE PREPARATION OF 1-BROMO-3-TRIFLUOROMETHOXYBENZENE MITENI S.P.A. (IT) 2007-09-27 WO disclosed