SCHEMBL23401428

SCHEMBL23401428

Cc1ccc(-c2cn(CC(C)C)nc2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1B Q00975 3/20 0.34
ICMT O60725 1/20 0.34
ACHE P22303 2/20 0.34
COMT P21964 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GCGR P47871 1/20 0.33
MMP9 P14780 1/20 0.33
JAK2 O60674 1/20 0.32
S1PR1 P21453 1/20 0.32
SRC P12931 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL23403696 0.86 S1PR1 (0.42) ALDH1A1HPGDCACNA1BJAK2S1PR1
SCHEMBL23400168 0.82 ICMT (0.40) KMT2ANPC1RAB9AICMTHDAC8
SCHEMBL23398807 0.82 COMT (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23403474 0.79 MEN1 (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23400975 0.78 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23401591 0.78 MEN1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23398898 0.77 HDAC8 (0.34) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL23400093 0.76 ACHE (0.38) MEN1KMT2AMAPTCYP2C19ACHE
SCHEMBL23400106 0.76 MEN1 (0.38) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23399682 0.74 MEN1 (0.41) MEN1KMT2ANPC1RAB9AMAPT

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed