SCHEMBL22176129

SCHEMBL22176129

C=Cc1cc(C)ccc1N(C)CCCCNC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL22176372 0.75 L3MBTL4 (0.34) L3MBTL4L3MBTL3TDP1ALDH1A1L3MBTL1
SCHEMBL23969240 0.75 L3MBTL4 (0.40) L3MBTL4L3MBTL3TDP1ALDH1A1L3MBTL1
SCHEMBL22176126 0.73 ALDH1A1 (0.41) L3MBTL4L3MBTL3TDP1ALDH1A1L3MBTL1
SCHEMBL24633833 0.72 TP53 (0.38) TDP1ALDH1A1LMNAMAPT
SCHEMBL26515833 0.72 RAB9A (0.45) L3MBTL4L3MBTL3ALDH1A1L3MBTL1MAPT
SCHEMBL25989384 0.70 L3MBTL4 (0.38) L3MBTL4L3MBTL3TDP1ALDH1A1L3MBTL1
SCHEMBL12288721 0.70 ALDH1A3 (0.39) TDP1ALDH1A1L3MBTL1HPGDLMNA
SCHEMBL4311553 0.70 MAPT (0.37) MAPT
SCHEMBL19142861 0.69 TAAR1 (0.37) L3MBTL4L3MBTL3TDP1ALDH1A1HPGD
SCHEMBL22877218 0.67 CYP3A4 (0.33) TDP1

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-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 WO disclosed