SCHEMBL29846900

SCHEMBL29846900

O=C(NCC1=NOCC1)c1ccnnc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ HPGDS O60760 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
SCHEMBL29846728 0.76 SLC6A3 (0.42) —
SCHEMBL29846880 0.75 SMN1; SMN2 (0.54) HPGDL3MBTL1
SCHEMBL29846476 0.74 HDAC3 (0.39) HCAR2PREPHDAC3HDAC1KMT2A
SCHEMBL29846690 0.73 SMN1; SMN2 (0.55) KMT2AMEN1HPGD
SCHEMBL29846418 0.72 KMT2A (0.60) KMT2AHSD17B10L3MBTL1TSHR
SCHEMBL29847223 0.72 PRMT5 (0.49) HDAC1KMT2AHPGDS
SCHEMBL29846768 0.71 HCAR2 (0.42) HCAR2HDAC3
SCHEMBL29846405 0.71 POLB (0.57) KMT2AMEN1
SCHEMBL29845971 0.70 ALDH1A1 (0.51) HSD17B10HPGDL3MBTL1TSHR
SCHEMBL21431437 0.69 CA12 (0.50) HCAR2PREPHDAC3HDAC1KMT2A

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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