SCHEMBL31052289

SCHEMBL31052289

CC(COc1cncc(CO)c1)Oc1cnc2ccc(Br)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
AKT1 P31749 5/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
KDM1A O60341 1/20 0.31
MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL25219336 1.00 CYP11B1 (0.35) CYP11B1CYP11B2MAPTMEN1LMNA
SCHEMBL31052343 1.00 CYP11B1 (0.35) CYP11B1CYP11B2MAPTMEN1LMNA
SCHEMBL31052382 1.00 CYP11B1 (0.35) CYP11B1CYP11B2MAPTMEN1LMNA
SCHEMBL25273245 1.00 CYP11B1 (0.35) CYP11B1CYP11B2MAPTMEN1LMNA
SCHEMBL25273063 1.00 CYP11B1 (0.35) CYP11B1CYP11B2MAPTMEN1LMNA
SCHEMBL25270905 0.89 AKT1 (0.36) MAPTMEN1LMNAHTTKMT2A
SCHEMBL25270904 0.89 AKT1 (0.36) MAPTMEN1LMNAHTTKMT2A
SCHEMBL31052360 0.89 AKT1 (0.36) MAPTMEN1LMNAHTTKMT2A
SCHEMBL25225874 0.84 AKT1 (0.33) MAPTMEN1LMNAHTTKMT2A
SCHEMBL25268936 0.84 AKT1 (0.33) MAPTMEN1LMNAHTTKMT2A

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-118525020-A Compound with CLK and DYRK inhibiting activity, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-08-20 CN disclosed