SCHEMBL23328809

SCHEMBL23328809

CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2ccc(Br)nc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.39
BTK Q06187 2/20 0.39
GAA P10253 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
JAK1 P23458 3/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PARP1 P09874 3/20 0.36
PDE10A Q9Y233 1/20 0.35
MAOA P21397 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
SCHEMBL23328843 1.00 KDM1A (0.42) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL29874561 0.82 PIK3CD (0.40) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL23328801 0.79 EPHX2 (0.38) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL31289638 0.79 EPHX2 (0.38) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL23300683 0.79 EPHX2 (0.38) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL23300648 0.79 EPHX2 (0.38) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL31289640 0.78 EPHX2 (0.37) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL23300625 0.78 EPHX2 (0.37) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL19297333 0.72 KDM1A (0.48) KDM1AMAOBKMT2AL3MBTL1EPHX2
SCHEMBL24742006 0.72 KMT2A (0.43) KDM1AMAOBKMT2AL3MBTL1EPHX2

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
WO-2021083011-A1 BRIDGED CYCLOFORMYLPYRIDINE DERIVATIVE AND USE THEREOF 北京伯汇生物技术有限公司 2021-05-06 WO disclosed