SCHEMBL29154209

SCHEMBL29154209

CCc1nc(C(N)=O)c2cncc(N3CCCC3=O)n12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.35
▸ CYP11B2 P19099 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ SLC29A1 Q99808 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
SCHEMBL29154224 0.77 HTT (0.37) LRRK2LMNAL3MBTL1
SCHEMBL29154210 0.71 — —
SCHEMBL17144869 0.65 LMNA (0.38) LRRK2LMNACA12CA1CA2
SCHEMBL13729776 0.64 HSD17B10 (0.36) LRRK2CYP11B2LMNACA12CA1
SCHEMBL17144873 0.63 LMNA (0.38) LRRK2NPC1LMNACA12CA1
SCHEMBL30281248 0.61 CYP11B2 (0.54) LRRK2CYP11B2NPC1L3MBTL1ALDH1A1
SCHEMBL17828138 0.60 CYP11B2 (0.46) CYP11B2NPC1LMNAALDH1A1USP2
SCHEMBL12525153 0.57 GPR119 (0.40) LMNAL3MBTL1ALDH1A1USP2PDE10A
SCHEMBL28488653 0.56 CYP11B2 (0.51) LRRK2CYP11B2NPC1ALDH1A1
SCHEMBL15184550 0.56 HSD17B10 (0.43) LMNAL3MBTL1PDE10ATSHR

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-117203206-A GCN2 modulating compounds and uses thereof 希伯塞尔股份有限公司 2023-12-08 — — CN disclosed
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