SCHEMBL29660879

SCHEMBL29660879

CC(=O)c1cc(C)c(Br)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAOB P27338 5/20 0.55
MCL1 Q07820 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
LRRK2 Q5S007 1/20 0.47
FOLH1 Q04609 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46

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
SCHEMBL166437 1.00 TDP1 (0.56) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL12939114 0.94 TDP1 (0.56) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL167317 0.92 MCL1 (0.57) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL6449136 0.88 MAPT (0.61) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL1036349 0.87 MAPT (0.59) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL2946703 0.86 MAOB (0.57) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL165982 0.86 MCL1 (0.57) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL22918087 0.85 MAOB (0.53) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL29660966 0.85 MAOB (0.53) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL18854498 0.85 MAOB (0.53) TDP1L3MBTL1MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114616226-B Pyridine derivatives as TMEM16A modulators for the treatment of respiratory disorders TMEM16A有限公司 2025-03-04 CN disclosed
CN-114616226-A Pyridine derivatives as TMEM16A modulators for the treatment of respiratory disorders TMEM16A有限公司 2022-06-10 CN disclosed
EP-4003516-A1 PYRIDINE DERIVATIVES AS TMEM16A MODULATORS FOR USE IN THE TREATMENT OF RESPIRATORY CONDITIONS TMEM16A LIMITED (GB) 2022-06-01 EP disclosed