SCHEMBL27429987

SCHEMBL27429987

Cc1ccc(Nc2nc(N3CCCC3)nc3nccnc23)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
CYBB P04839 1/20 0.43
NOX5 Q96PH1 1/20 0.43
NOX3 Q9HBY0 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 2/20 0.40
SRC P12931 3/20 0.40
ABL1 P00519 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23867520 0.92 TDP1 (0.48) MAPTHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL27248325 0.91 HPGD (0.54) MAPTHPGDL3MBTL1CYBBNOX5
SCHEMBL27248311 0.91 HPGD (0.58) MAPTHPGDL3MBTL1CYBBNOX5
SCHEMBL27429469 0.88 HPGD (0.45) MAPTHPGDL3MBTL1CYBBNOX5
SCHEMBL27429930 0.88 L3MBTL1 (0.60) MAPTHPGDL3MBTL1CYBBNOX5
SCHEMBL17716933 0.83 HTR2C (0.50) MAPTHPGDL3MBTL1CYBBNOX4
SCHEMBL27248392 0.83 HPGD (0.50) MAPTHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL27430717 0.82 ADRA2A (0.43) MAPTHPGDL3MBTL1CYBBNOX5
SCHEMBL27429487 0.82 ADRA2A (0.43) MAPTHPGDL3MBTL1CYBBNOX5
SCHEMBL27430718 0.82 ADRA2A (0.43) MAPTHPGDL3MBTL1CYBBNOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 WO disclosed