SCHEMBL15076772

SCHEMBL15076772

O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)N2CCCC2CO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTR2B P41595 1/20 0.54
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
BRD4 O60885 1/20 0.51
BRD2 P25440 1/20 0.51
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
CNR1 P21554 1/20 0.48
RAB9A P51151 2/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LOX P28300 1/20 0.46

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
SCHEMBL15276970 1.00 MEN1 (0.59) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL15276971 1.00 MEN1 (0.59) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL15076667 0.92 MEN1 (0.52) MEN1KMT2ATP53MAPTBRD4
SCHEMBL15076307 0.92 MAPT (0.55) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL15276929 0.92 MEN1 (0.49) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL15076654 0.92 MAPT (0.55) MEN1KMT2ATP53MAPTBRD4
SCHEMBL15076747 0.91 MAPT (0.50) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL15076475 0.91 MEN1 (0.49) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL15280077 0.90 BRD4 (0.54) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL15280072 0.89 MEN1 (0.47) MEN1KMT2AHTR2BTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed
WO-2013096744-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-06-27 WO disclosed