SCHEMBL21408127

SCHEMBL21408127

CCCC1(CCC)CCN(C(=O)OC(C)(C)C)C1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ ATM Q13315 2/20 0.33
▸ NR1H2 P55055 1/20 0.33

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
SCHEMBL21408164 0.80 HSD17B10 (0.33) SMN1; SMN2USP2CTSKHSD17B10NR1H2
SCHEMBL24845877 0.77 HSD17B10 (0.39) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL27172955 0.77 HSD17B10 (0.39) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL21408122 0.76 USP2 (0.39) SMN1; SMN2USP2HSD17B10NR1H2
SCHEMBL1643826 0.76 USP2 (0.39) SMN1; SMN2USP2HSD17B10NR1H2
SCHEMBL16224365 0.75 USP2 (0.38) SMN1; SMN2USP2CTSKHSD17B10NR1H2
SCHEMBL21408125 0.74 ACACB (0.40) SMN1; SMN2USP2CTSKHSD17B10
SCHEMBL17631948 0.73 HSD17B10 (0.38) SMN1; SMN2USP2HSD17B10NR1H2
SCHEMBL13449262 0.72 JAK2 (0.37) ALDH1A1SMN1; SMN2USP2CTSKHSD17B10
SCHEMBL21408146 0.72 ACACB (0.41) SMN1; SMN2USP2HSD17B10KDM1ANR1H2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573500-B N- (nitrogen heterocyclic aryl) lactam-1-formamide derivative and preparation method and application thereof 上海和誉生物医药科技有限公司 2020-12-08 — — CN disclosed
CN-110573500-A N- (nitrogen heterocyclic aryl) lactam-1-formamide derivative and preparation method and application thereof 上海和誉生物医药科技有限公司 2019-12-13 — — CN disclosed
WO-2018214867-A9 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海和誉生物医药科技有限公司 2019-10-03 — — WO disclosed
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