SCHEMBL28742005

SCHEMBL28742005

CCOC(=O)CCc1cnc2ccc(Br)cn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
PSD A5PKW4 1/20 0.39
TBXAS1 P24557 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADORA2A P29274 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
LMNA P02545 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
SCHEMBL2263014 0.87 KDM4E (0.46) KDM4EGLAGAAMAPTSMN1; SMN2
SCHEMBL5160393 0.81 TBXAS1 (0.45) KDM4EMAPTSMN1; SMN2RXFP1CYP4F2
SCHEMBL23219125 0.77 TBXAS1 (0.45) KDM4EGLAGAAMAPTSMN1; SMN2
SCHEMBL29852848 0.77 TBXAS1 (0.45) KDM4EGLAGAAMAPTSMN1; SMN2
SCHEMBL20592989 0.77 PSD (0.36) KDM4EGLAGAAMAPTSMN1; SMN2
SCHEMBL19697668 0.76 PIK3CA (0.40) KDM4EGLAGAAMAPTSMN1; SMN2
SCHEMBL1649636 0.76 TGFBR1 (0.54) KDM4EGLAGAAMAPTSMN1; SMN2
SCHEMBL20592991 0.76 POLB (0.40) KDM4EGAAMAPTSMN1; SMN2RXFP1
SCHEMBL20592786 0.75 RAB9A (0.40) KDM4EGLAGAASMN1; SMN2RXFP1
SCHEMBL18786198 0.75 POLB (0.44) GAAPSDADORA2APIK3CAMTOR

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-114450006-A TrkB positive allosteric modulators 斯特拉斯堡大学 2022-05-06 CN disclosed