SCHEMBL28696372

SCHEMBL28696372

Oc1ccc(Br)cc1C(O)c1ccc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
WDR5 P61964 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL1350237 0.82 KCNH2 (0.45) KMT2ATP53PPARGLMNAALDH1A1
SCHEMBL12629967 0.78 LMNA (0.43) GUSBKMT2AMAPTALOX15MEN1
SCHEMBL11742542 0.76 MEN1 (0.45) KMT2AMAPTALOX15MEN1HPGD
SCHEMBL1349518 0.75 CES2 (0.46) KCNH2NPC1RAB9AMDM2
SCHEMBL22009885 0.75 SMN1; SMN2 (0.38) MAPTHPGDPPARGLMNASMN1; SMN2
SCHEMBL29396169 0.75 SMN1; SMN2 (0.38) MAPTHPGDPPARGLMNASMN1; SMN2
SCHEMBL11306853 0.72 MEN1 (0.54) GUSBKMT2AMAPTALOX15MEN1
SCHEMBL182606 0.71 KMT2A (0.41) KMT2APPARGLMNASMN1; SMN2ALDH1A1
SCHEMBL22852398 0.70 KCNH2 (0.45) KMT2ATP53PPARGLMNAALDH1A1
SCHEMBL1347797 0.69 MDM2 (0.40) PPARGKCNH2MDM2

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
CN-113874019-A Combinations comprising benzodioxoles as GLP-1R agonists for the treatment of NASH/NAFLD and related diseases 辉瑞大药厂 2021-12-31 CN disclosed