SCHEMBL29010757

SCHEMBL29010757

COC(=O)c1cc(F)c2ncsc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
TNF P01375 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
MCL1 Q07820 2/20 0.42

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
SCHEMBL29437865 1.00 POLB (0.43) POLBKDM4ELMNAGAAL3MBTL1
SCHEMBL20943936 0.84 CA12 (0.44) LMNAGAATDP1ALDH1A1KMT2A
SCHEMBL20943948 0.84 IRAK4 (0.35) POLBKDM4EL3MBTL1TDP1MEN1
SCHEMBL30437515 0.83 KDM4E (0.41) POLBKDM4ELMNAGAAL3MBTL1
SCHEMBL642595 0.83 KDM4E (0.51) POLBKDM4ELMNAGAAL3MBTL1
SCHEMBL31003190 0.83 NPC1 (0.39) POLBKDM4EL3MBTL1TDP1GFER
SCHEMBL643332 0.82 KDM4E (0.44) POLBKDM4ELMNAGAAL3MBTL1
SCHEMBL20839954 0.82 ALDH1A1 (0.44) POLBKDM4ELMNAGAAL3MBTL1
SCHEMBL30114504 0.81 IRAK4 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20944436 0.81 RAB9A (0.51) KDM4ELMNAL3MBTL1TDP1XDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854681-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-10-10 CN disclosed
CN-110177783-B Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-06-06 CN disclosed