SCHEMBL29464064

SCHEMBL29464064

CCCCCCCCN(CCCCCCCC)c1nc(Cl)nc(NCC(CC)CCCC)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CRHR1 P34998 1/20 0.32
▸ SLC29A1 Q99808 2/20 0.32
▸ NPY5R Q15761 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
SCHEMBL8051022 0.86 ALDH1A1 (0.43) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL6926880 0.83 ALDH1A1 (0.48) LMNAKMT2AGAAALDH1A1CYP3A4
SCHEMBL29464061 0.82 SLC29A1 (0.35) KMT2AALDH1A1CYP3A4TSHRSLC29A1
SCHEMBL20740718 0.80 KMT2A (0.60) LMNAMAPTSMN1; SMN2KMT2ASLC29A1
SCHEMBL11283529 0.78 KMT2A (0.56) LMNAMAPTSMN1; SMN2KMT2ASLC29A1
SCHEMBL9015890 0.76 LMNA (0.56) LMNAMAPTSMN1; SMN2KMT2AGAA
SCHEMBL7776211 0.75 ALDH1A1 (0.57) LMNASMN1; SMN2KMT2AALDH1A1CYP3A4
SCHEMBL13299491 0.75 MAPT (0.40) LMNAMAPTSMN1; SMN2KMT2ATSHR
SCHEMBL20740708 0.75 MAPT (0.38) LMNAMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL9487776 0.75 MAPT (0.38) LMNAMAPTSMN1; SMN2KMT2AALDH1A1

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
CN-112048076-B Ternary supermolecule self-assembly up-conversion gel and preparation method and application thereof 广东工业大学 2022-04-19 — — CN disclosed
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