SCHEMBL25448692

SCHEMBL25448692

Oc1cc(Cl)c(CBr)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.52
TSHR P16473 4/20 0.52
HPGD P15428 3/20 0.52
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
CYP3A4 P08684 5/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 2/20 0.37
HIF1A Q16665 2/20 0.37
IDO1 P14902 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HSPD1 P10809 1/20 0.37
HSPA5 P11021 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9292254 0.84 ALOX15 (0.36) ALOX15ALOX12CYP3A4IDO1CYP2C9
SCHEMBL23214736 0.83 HSD17B10 (0.48) HSD17B10TSHRHPGDALOX15ALOX12
SCHEMBL68255 0.80 HSD17B10 (0.57) HSD17B10TSHRHPGDALOX15ALOX12
SCHEMBL9396186 0.79 MAPK1 (0.38) HSD17B10TSHRHPGDALOX15ALOX12
SCHEMBL5385953 0.78 TSHR (0.55) HSD17B10TSHRHPGDALOX15ALOX12
SCHEMBL8350554 0.76 TSHR (0.52) HSD17B10TSHRHPGDALOX15ALOX12
SCHEMBL10941332 0.76 TSHR (0.52) HSD17B10TSHRHPGDALOX15ALOX12
SCHEMBL48305 0.76 HSD17B10 (0.86) HSD17B10TSHRHPGDALOX15ALOX12
SCHEMBL3311060 0.73 AHR (0.35) HSD17B10TSHRHPGDALOX15ALOX12
SCHEMBL29472350 0.73 AHR (0.35) HSD17B10TSHRHPGDALOX15ALOX12

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-4177244-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYROXASULFONE AND FENOXASULFONE Adama Agan Ltd. (IL) 2023-05-10 EP disclosed
EP-4177245-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF FENOXASULFONE Adama Agan Ltd. (IL) 2023-05-10 EP disclosed
EP-4177252-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYROXASULFONE, FENOXASULFONE AND VARIOUS SULFONE ANALOGS OF 5,5-DIMETHYL-4H-1,2-OXAZOLE Adama Agan Ltd. (IL) 2023-05-10 EP disclosed