SCHEMBL28879372

SCHEMBL28879372

CC(N)CCC(N)CCN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
LMNA P02545 1/20 0.34
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 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
SCHEMBL28879364 0.98 CARM1 (0.35) HRH3L3MBTL1CARM1PRMT6PRMT8
SCHEMBL8553534 0.87 HRH3 (0.44) HRH3L3MBTL1CARM1PRMT6PRMT8
SCHEMBL10658133 0.85 CARM1 (0.41) HRH3L3MBTL1CARM1PRMT6PRMT8
SCHEMBL23278171 0.82 HRH3 (0.39) HRH3L3MBTL1CARM1PRMT6PRMT8
SCHEMBL28958203 0.81 KEAP1 (0.42) MEN1KMT2AALDH1A1MAPTANPEP
SCHEMBL28879365 0.81 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1ANPEPERAP2
SCHEMBL20354500 0.79 CARM1 (0.37) HRH3L3MBTL1CARM1PRMT6PRMT8
SCHEMBL11036023 0.78 HRH3 (0.56) HRH3L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10207845 0.77 HRH3 (0.40) HRH3THRB
SCHEMBL4119651 0.77 ALOX15 (0.40) HRH3L3MBTL1CARM1PRMT6PRMT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286571-A Chloroquine derivative and preparation method thereof 华南理工大学 2022-11-04 CN claimed
CN-115286571-A Chloroquine derivative and preparation method thereof 华南理工大学 2022-11-04 CN disclosed