SCHEMBL29846546

SCHEMBL29846546

CC1C(CNC(=O)c2cccc3ncnn23)=NOC1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ EGLN2 Q96KS0 3/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MGLL Q99685 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
SCHEMBL29846805 0.78 PPARG (0.35) —
SCHEMBL29846116 0.76 KMT2A (0.38) ELANEHPGDKDM4EALDH1A1LMNA
SCHEMBL29846627 0.75 MAPT (0.57) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL29846818 0.75 PDE1C (0.36) ELANELMNAKMT2AL3MBTL1
SCHEMBL29846484 0.74 KDM4E (0.54) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL29846545 0.74 SMN1; SMN2 (0.38) ELANEHPGDMAPTBRD4KDM4E
SCHEMBL29847076 0.74 LMNA (0.53) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL29846564 0.73 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL29846629 0.72 NPSR1 (0.39) MAPTALDH1A1LMNAGAARAB9A
SCHEMBL29846759 0.72 UTS2R (0.38) ELANEHPGDCYP3A4BRD4LMNA

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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