SCHEMBL22658163

SCHEMBL22658163

O=[N+]([O-])c1ccc(OC(F)F)c(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.59
PTGS2 P35354 2/20 0.48
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
PTPRC P08575 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
S100A4 P26447 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYC P01106 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
SCHEMBL9812697 0.83 PTGDR2 (0.67) PTGDR2PTGS2RAB9APOLBPTPRC
SCHEMBL29408235 0.80 PTGDR2 (0.63) PTGDR2PTGS2RAB9APOLBMEN1
SCHEMBL10933113 0.80 PTGDR2 (0.63) PTGDR2PTGS2RAB9APOLBMEN1
SCHEMBL28686843 0.80 MAPT (0.45) PTGDR2RAB9APTPRCBCHEACHE
SCHEMBL8609293 0.79 MAPT (0.51) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL28845383 0.78 PTGDR2 (0.68) PTGDR2PTGS2RAB9APOLBPTPRC
SCHEMBL9526847 0.76 HSPB1 (0.51) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL7269589 0.76 FNTA (0.50) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL7269583 0.76 FNTA (0.50) RAB9APOLBMEN1KMT2AMAPT
SCHEMBL28207049 0.76 PTGS2 (0.73) PTGDR2PTGS2RAB9APOLBPTPRC

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-3969439-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-03-23 EP disclosed
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 CN disclosed
WO-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed