SCHEMBL22326267

SCHEMBL22326267

CCCCCCCCC(N)(C(=O)O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
LMNA P02545 5/20 0.45
POLB P06746 2/20 0.45
TBXAS1 P24557 1/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TRPV1 Q8NER1 3/20 0.40

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
SCHEMBL7648229 0.89 CYP1A2 (0.44) LMNATBXAS1KCNA5L3MBTL1TDP1
SCHEMBL3664564 0.84 CYP1A2 (0.46) CYP1A2HTTALDH1A1
SCHEMBL28416200 0.84 CYP1A2 (0.46) CYP1A2HTTALDH1A1
SCHEMBL28419010 0.84 CYP1A2 (0.46) CYP1A2HTTALDH1A1
SCHEMBL28419024 0.84 CYP1A2 (0.46) CYP1A2HTTALDH1A1
SCHEMBL3664383 0.84 CYP1A2 (0.46) CYP1A2HTTALDH1A1
SCHEMBL16586535 0.82 CYP1A2 (0.47) MAPTCYP1A2ALDH1A1
SCHEMBL27672756 0.79 CNR1 (0.50) CNR1CNR2LMNAPOLBKCNA5
SCHEMBL372366 0.78 KIF11 (0.49) L3MBTL1TDP1MAPTSMN1; SMN2CYP1A2
SCHEMBL11632766 0.77 KCNA5 (0.51) CNR1CNR2LMNAPOLBKCNA5

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-2020162725-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2020-08-13 WO disclosed