SCHEMBL28844972

SCHEMBL28844972

CC1(c2ccccc2)C=c2ccccc2=N1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 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
SCHEMBL17532797 0.74
SCHEMBL4266501 0.73 MAOA (0.33) BACE1
SCHEMBL11019128 0.71 KDM4E (0.30) LMNA
SCHEMBL28824475 0.71
SCHEMBL11824269 0.71 MEN1 (0.36) ALDH1A1LMNA
SCHEMBL866534 0.69
SCHEMBL11557726 0.69
SCHEMBL11790546 0.69 SLC6A2 (0.31)
SCHEMBL10783455 0.69 L3MBTL1 (0.32) L3MBTL1
SCHEMBL9743776 0.68 OPRM1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272370-B Synthesis method of trifluoromethyl substituted 3,3' -bis (2-phenylindolyl) methane compound 福州大学 2022-08-23 CN claimed
CN-110272370-B Synthesis method of trifluoromethyl substituted 3,3' -bis (2-phenylindolyl) methane compound 福州大学 2022-08-23 CN disclosed
CN-110272370-B Synthesis method of trifluoromethyl substituted 3,3' -bis (2-phenylindolyl) methane compound 福州大学 2022-08-23 CN disclosed
CN-110272370-B Synthesis method of trifluoromethyl substituted 3,3' -bis (2-phenylindolyl) methane compound 福州大学 2022-08-23 CN disclosed