SCHEMBL28539787

SCHEMBL28539787

O=C(O)N1CCC(n2cccc(Br)c2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.42
L3MBTL3 Q96JM7 9/20 0.41
L3MBTL1 Q9Y468 9/20 0.41
MBTD1 Q05BQ5 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL4 Q8NA19 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
TP53BP1 Q12888 1/20 0.33

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
SCHEMBL19513999 1.00 KDM5A (0.42) KDM5AL3MBTL3L3MBTL1MBTD1POLB
SCHEMBL17672423 0.83 KDM5A (0.57) KDM5AL3MBTL3L3MBTL1KDM4EKMT2A
SCHEMBL26114140 0.79 L3MBTL3 (0.38) KDM5AL3MBTL3L3MBTL1MBTD1POLB
SCHEMBL26114145 0.79 L3MBTL3 (0.38) KDM5AL3MBTL3L3MBTL1MBTD1POLB
SCHEMBL26118190 0.79 L3MBTL3 (0.38) KDM5AL3MBTL3L3MBTL1MBTD1POLB
SCHEMBL30912557 0.78 DHODH (0.40) L3MBTL3L3MBTL1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28541089 0.78 KDM5A (0.54) KDM5AL3MBTL3L3MBTL1MBTD1KDM4E
SCHEMBL19531954 0.75 IL4I1 (0.39) L3MBTL3L3MBTL1POLBKDM4EALDH1A1
SCHEMBL17682584 0.73 KDM5A (0.55) KDM5A
SCHEMBL19513964 0.73 KDM5A (0.55) KDM5A

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-107912040-B Pyrrolidine amide compounds as histone demethylase inhibitors 基因泰克公司 2021-04-06 CN disclosed