SCHEMBL22176372

SCHEMBL22176372

C=C(CC)c1cc(C)ccc1N(C)CCCCCNC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
GPX4 P36969 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 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
SCHEMBL22176126 0.79 ALDH1A1 (0.41) L3MBTL4L3MBTL3ALDH1A1TDP1L3MBTL1
SCHEMBL22175908 0.76 SIGMAR1 (0.37) L3MBTL4L3MBTL3ALDH1A1TDP1L3MBTL1
SCHEMBL23969324 0.76 PLK1 (0.40) L3MBTL4L3MBTL3ALDH1A1TDP1L3MBTL1
SCHEMBL22176523 0.76 SIGMAR1 (0.37) L3MBTL4L3MBTL3ALDH1A1TDP1L3MBTL1
SCHEMBL22175863 0.76 SIGMAR1 (0.37) L3MBTL4L3MBTL3ALDH1A1TDP1L3MBTL1
SCHEMBL22175858 0.75 L3MBTL4 (0.38) L3MBTL4L3MBTL3ALDH1A1TDP1L3MBTL1
SCHEMBL22176129 0.75 L3MBTL4 (0.38) L3MBTL4L3MBTL3ALDH1A1TDP1L3MBTL1
SCHEMBL23969212 0.74 SIGMAR1 (0.37) L3MBTL4L3MBTL3ALDH1A1TDP1L3MBTL1
SCHEMBL22176371 0.72 SIGMAR1 (0.36) HTTSMN1; SMN2
SCHEMBL23969437 0.68 SIGMAR1 (0.33) L3MBTL1SMN1; 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 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