SCHEMBL29913098

SCHEMBL29913098

Cn1c(-c2ccc(F)cc2)c(C(=O)O)c2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
KDM4A O75164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK14 Q16539 4/20 0.40
KMT2A Q03164 1/20 0.40
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
NR3C2 P08235 1/20 0.36
DHODH Q02127 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
GRM5 P41594 3/20 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
SCHEMBL27157832 1.00 KDM5A (0.43) KDM5AKDM4CKDM5BKDM4AKDM4E
SCHEMBL6485737 0.87 CYP1A2 (0.42) KDM4EKMT2AHTTDHODH
SCHEMBL29912955 0.87 CYP1A2 (0.42) KDM4EKMT2AHTTDHODH
SCHEMBL27158312 0.76 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL29913278 0.74 MAPT (0.38) KDM5AKDM4CKDM5BKMT2AGRIA2
SCHEMBL27157865 0.74 MAPT (0.38) KDM5AKDM4CKDM5BKMT2AGRIA2
SCHEMBL29912914 0.74 CA12 (0.42) KDM4EKMT2ALMNAGRIA2GRIA4
SCHEMBL27157885 0.74 CA12 (0.42) KDM4EKMT2ALMNAGRIA2GRIA4
SCHEMBL1994450 0.73 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4157410 0.70 KDM4E (0.49) KDM5AKDM4CKDM5BKDM4AKDM4E

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-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed