SCHEMBL28508552

SCHEMBL28508552

COC(=O)c1ccccc1Cn1c(=O)[nH]c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
TLR7 Q9NYK1 1/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 5/20 0.45
EPHX2 P34913 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL31362209 0.84 LMNA (0.54) MEN1KMT2ACYP1A2LMNAHTT
SCHEMBL3534743 0.80 LMNA (0.63) MEN1KMT2ACYP1A2LMNAHTT
SCHEMBL23997296 0.78 LMNA (0.53) MEN1KMT2ACYP1A2TLR7LMNA
SCHEMBL30345095 0.78 LMNA (0.53) MEN1KMT2ACYP1A2TLR7LMNA
SCHEMBL4522117 0.76 MEN1 (0.61) MEN1KMT2ACYP1A2LMNAHTT
SCHEMBL31743806 0.76 PGR (0.46) LMNAHTTEPHX2PPARG
SCHEMBL31743775 0.76 EPHX2 (0.47) LMNAHTTEPHX2PPARG
SCHEMBL7231747 0.75 KDM4E (0.67) MEN1KMT2ACYP1A2LMNAHTT
SCHEMBL9414251 0.75 TLR7 (0.50) MEN1KMT2ATLR7LMNAALDH1A1
SCHEMBL2313957 0.75 MYC (0.56) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN disclosed