SCHEMBL30444292

SCHEMBL30444292

O=[N+]([O-])c1ccccc1[C@@H]1OC(c2ccccc2)O[C@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 4/20 0.38
ALDH1A1 P00352 7/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GPR35 Q9HC97 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 4/20 0.37
KDM1A O60341 1/20 0.36
POLB P06746 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 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
SCHEMBL15551602 1.00 DNMT3B (0.38) DNMT3BALDH1A1TDP1MAPTKMT2A
SCHEMBL18186743 1.00 DNMT3B (0.38) DNMT3BALDH1A1TDP1MAPTKMT2A
SCHEMBL15550765 1.00 DNMT3B (0.38) DNMT3BALDH1A1TDP1MAPTKMT2A
SCHEMBL30444549 1.00 DNMT3B (0.38) DNMT3BALDH1A1TDP1MAPTKMT2A
SCHEMBL18802935 1.00 DNMT3B (0.38) DNMT3BALDH1A1TDP1MAPTKMT2A
SCHEMBL4386759 0.87 GPR35 (0.46) DNMT3BALDH1A1TDP1MAPTKMT2A
SCHEMBL18783331 0.84 CA12 (0.36) DNMT3BALDH1A1TDP1MAPTKMT2A
SCHEMBL18783333 0.84 CA12 (0.36) DNMT3BALDH1A1TDP1MAPTKMT2A
SCHEMBL16795952 0.83 KDM4E (0.41) DNMT3BALDH1A1TDP1MAPTKMT2A
SCHEMBL15539870 0.83 KDM4E (0.41) DNMT3BALDH1A1TDP1MAPTKMT2A

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-116234798-A Sulfamate derivative compounds for the treatment or alleviation of psychotic disorders 生物药品解决方案有限公司 2023-06-06 CN disclosed