SCHEMBL28810704

SCHEMBL28810704

Cc1cccn1C1CCCCC(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ACHE P22303 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ ABCB1 P08183 2/20 0.32
▸ TSHR P16473 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL26268476 0.93 ACHE (0.36) MAPTPOLBACHEALDH1A1TSHR
SCHEMBL8139572 0.87 SLC18A3 (0.39) ALDH1A1ABCB1SLC18A3GAA
SCHEMBL13783352 0.85 — —
SCHEMBL26269430 0.74 GAA (0.40) GAA
SCHEMBL28810670 0.71 DHODH (0.33) —
SCHEMBL8339813 0.71 MEN1 (0.40) MAPTPOLBACHEALDH1A1TSHR
SCHEMBL8269036 0.71 MEN1 (0.40) MAPTPOLBACHEALDH1A1TSHR
SCHEMBL8143998 0.71 OPRK1 (0.30) —
SCHEMBL28811466 0.71 ABCB1 (0.33) LMNATP53NPSR1POLBABCB1
SCHEMBL28811470 0.69 LMNA (0.38) LMNATP53NPSR1MAPTPKM

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-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 — — CN disclosed
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