SCHEMBL22101405

SCHEMBL22101405

CCc1nc2ccc(NC(C)(C)C(=O)OCCOc3c(CC)nc4ccc(NC(C)(C)C(=O)OC)cn4c3=O)cn2c(=O)c1O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 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
SCHEMBL22101372 0.89 HDAC1 (0.35) HDAC1KDM4EGLAGAA
SCHEMBL22101810 0.85 HDAC1 (0.34) HDAC1KDM4EGLAGAA
SCHEMBL22101373 0.85 KDM4E (0.38) HDAC1KDM4EGLAGAA
SCHEMBL22101368 0.78 MAPT (0.33) HDAC1KDM4EGLAGAA
SCHEMBL22101371 0.77 RXFP1 (0.35) HDAC1KDM4EGLAGAA
SCHEMBL22101410 0.71
SCHEMBL22101363 0.70 TP53 (0.42) KDM4EGAA
SCHEMBL22393705 0.69 HDAC1 (0.35) HDAC1KDM4EGLAGAA
SCHEMBL22101456 0.69 MAPT (0.37) KDM4E
SCHEMBL22101906 0.68 KDM4E (0.43) HDAC1KDM4EGLAGAA

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
EP-3666772-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-06-17 EP disclosed