SCHEMBL25666221

SCHEMBL25666221

O=C(CBr)c1ccc(OCc2cc(F)cc(F)c2)c2[nH]c(=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
HPGDS O60760 1/20 0.36
PREP P48147 1/20 0.34
ACHE P22303 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
GSK3B P49841 2/20 0.33
BACE1 P56817 2/20 0.33
PPARG P37231 1/20 0.33
PTPN1 P18031 1/20 0.33
LRRK2 Q5S007 2/20 0.32
AKR1C3 P42330 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL25666189 0.90 MMP1 (0.45) MMP1MMP2MMP9MMP12MRGPRX4
SCHEMBL25666154 0.90 MMP1 (0.39) MMP1MMP2MMP9MMP12HPGDS
SCHEMBL99439 0.85 HPGDS (0.44) MMP1MMP2MMP9MMP12HPGDS
SCHEMBL25666240 0.84 MMP1 (0.38) MMP1MMP2MMP9MMP12HPGDS
SCHEMBL25666179 0.83 HPGDS (0.40) MMP1MMP2MMP9MMP12HPGDS
SCHEMBL102846 0.81 HPGDS (0.43) MMP1MMP9HPGDSADRB2ADRB1
SCHEMBL25666205 0.81 MMP1 (0.42) MMP1MMP2MMP9MMP12HPGDS
SCHEMBL20285585 0.78 HPGDS (0.44) HPGDSGSK3BPTPN1
SCHEMBL13617611 0.77 HPGDS (0.42) MMP1MMP9MMP12HPGDSMEN1
SCHEMBL18993738 0.76 SMN1; SMN2 (0.41) MMP1MMP2MMP9MMP12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023077678-A1 SMALL MOLECULE COMPOUND TARGETING SRSF6 PROTEIN AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2023-05-11 WO disclosed