SCHEMBL29453012

SCHEMBL29453012

COC(=O)c1cc(C(=O)NCc2ccccc2OC)ccn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
HPGD P15428 5/20 0.61
GAA P10253 2/20 0.61
HDAC1 Q13547 1/20 0.58
HTT P42858 2/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
ANO1 Q5XXA6 1/20 0.54
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.52

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
SCHEMBL22774462 1.00 POLB (0.62) POLBHPGDGAAHDAC1HTT
SCHEMBL5212513 0.93 POLB (0.68) POLBHPGDGAAHDAC1HTT
SCHEMBL22774004 0.91 POLB (0.62) POLBHPGDGAAHDAC1HTT
SCHEMBL22783459 0.86 ANO1 (0.73) POLBHPGDGAAHDAC1HTT
SCHEMBL29452941 0.86 ANO1 (0.73) POLBHPGDGAAHDAC1HTT
SCHEMBL5210350 0.82 ROCK2 (0.67) POLBHPGDGAAMAPTTP53
SCHEMBL5214225 0.81 KMT2A (0.69) POLBHPGDMAPTTP53ROCK2
SCHEMBL1568381 0.81 HDAC1 (0.72) POLBHPGDGAAHDAC1HTT
SCHEMBL11901119 0.81 HPGD (0.84) POLBHPGDGAAHDAC1HTT
SCHEMBL1767439 0.81 MAPT (0.69) POLBHPGDGAAHDAC1HTT

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-114269433-B Modulators of TMEM16A for the treatment of respiratory diseases TMEM16A有限公司 2024-08-02 CN disclosed
CN-114269433-A Modulators of TMEM16A for the treatment of respiratory diseases TMEM16A有限公司 2022-04-01 CN disclosed
WO-2020249956-A9 MODULATORS OF TMEM16A FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-03-03 WO disclosed