SCHEMBL28890509

SCHEMBL28890509

CCCCC(C)(CNC(C)=O)OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CTSK P43235 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PAOX Q6QHF9 3/20 0.33
▸ ACACB O00763 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CTSS P25774 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL4346472 0.82 LMNA (0.44) LMNAHSD17B10CTSKTSHRCYP3A4
SCHEMBL28890479 0.78 LMNA (0.40) LMNAHSD17B10CTSKTSHRCYP3A4
SCHEMBL28513794 0.78 LMNA (0.40) LMNAHSD17B10CTSKTSHRCYP3A4
SCHEMBL29063527 0.78 LMNA (0.40) LMNAHSD17B10CTSKTSHRCYP3A4
SCHEMBL1811804 0.78 LMNA (0.40) LMNAHSD17B10CTSKTSHRCYP3A4
SCHEMBL29063462 0.75 LMNA (0.42) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL29063461 0.75 LMNA (0.42) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL29958378 0.74 FDPS (0.38) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL18109402 0.74 FDPS (0.38) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL18109397 0.74 FDPS (0.38) MEN1MAPTKMT2AATML3MBTL1

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-115362155-B Arylamine derivative, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-06-18 — — CN disclosed
CN-115362155-A Arylamine derivatives, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-11-18 — — CN disclosed
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