SCHEMBL28958203

SCHEMBL28958203

CC(N)CCC(N)CCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ANPEP P15144 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4332123 0.88 SMN1; SMN2 (0.48) KEAP1SMN1; SMN2ALDH1A1KDM4EANPEP
SCHEMBL13668438 0.83 KDM4E (0.53) KEAP1SMN1; SMN2ALDH1A1KDM4EANPEP
SCHEMBL28879364 0.82 CARM1 (0.35) ALDH1A1MEN1KMT2AMAPT
SCHEMBL28879372 0.81 HRH3 (0.38) ALDH1A1ANPEPMEN1KMT2AMAPT
SCHEMBL10505610 0.81 KEAP1 (0.55) KEAP1SMN1; SMN2ALDH1A1KDM4EANPEP
SCHEMBL23278175 0.81 KEAP1 (0.45) KEAP1SMN1; SMN2ALDH1A1KDM4EANPEP
SCHEMBL23396624 0.81 KEAP1 (0.55) KEAP1SMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL20283834 0.80 KEAP1 (0.46) KEAP1SMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL32670462 0.80 ALDH1A1 (0.39) KEAP1SMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL17819447 0.79 USP2 (0.48) KEAP1SMN1; SMN2ALDH1A1KDM4EANPEP

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