SCHEMBL29846880

SCHEMBL29846880

Cn1cc(C(=O)NCC2=NOCC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ GRN P28799 1/20 0.42
▸ SORT1 Q99523 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK8 P45983 5/20 0.39
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DHX9 Q08211 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KLKB1 P03952 1/20 0.35

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
SCHEMBL29846418 0.76 KMT2A (0.60) SMN1; SMN2LMNAALDH1A1TP53L3MBTL1
SCHEMBL29846900 0.75 HCAR2 (0.39) HPGDL3MBTL1
SCHEMBL3318854 0.74 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL31363911 0.73 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL22993585 0.72 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL1458487 0.72 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHPGDGRNSORT1
SCHEMBL29845971 0.72 ALDH1A1 (0.51) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL29846680 0.71 HDAC1 (0.48) LMNAALDH1A1MAPT
SCHEMBL13211939 0.70 SMN1; SMN2 (0.76) SMN1; SMN2LMNAHPGDMMP13KLKB1
SCHEMBL29846768 0.70 HCAR2 (0.42) KLKB1

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
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
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