SCHEMBL30329645

SCHEMBL30329645

O=C1CCOc2c1ccc(F)c2Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.40
MAOA P21397 1/20 0.40
GRM5 P41594 10/20 0.36
ABCC9 O60706 2/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL25166116 1.00 MAOB (0.40) MAOBMAOAGRM5ABCC9ABCC8
SCHEMBL13506594 0.82 MAOB (0.42) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL31015970 0.79 MAOB (0.40) MAOBMAOAGRM5ABCC9ABCC8
SCHEMBL25166445 0.79 MAOB (0.40) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL20554846 0.79 MAOB (0.47) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL23977243 0.79 MAOB (0.40) MAOBMAOAGRM5ABCC9ABCC8
SCHEMBL25165937 0.79 MAOB (0.40) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL23882922 0.76 MAOB (0.41) MAOBMAOAGRM5
SCHEMBL1265527 0.75 CYP19A1 (0.46) MAOBMAOAGRM5LMNAMAPT
SCHEMBL25166194 0.74 PARP1 (0.37) ABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416143-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-08-21 EP disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed