SCHEMBL29846844

SCHEMBL29846844

O=C(NCC1=NOCC1)c1cocn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.33
▸ ACACB O00763 2/20 0.33
▸ SRPK1 Q96SB4 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL29845971 0.77 ALDH1A1 (0.51) —
SCHEMBL29846690 0.77 SMN1; SMN2 (0.55) —
SCHEMBL29846514 0.76 ITGAV (0.39) —
SCHEMBL29846928 0.74 CYP1A2 (0.56) —
SCHEMBL29846654 0.74 ITGB3 (0.31) F2RACACBSRPK1PIK3CD
SCHEMBL29846762 0.73 POLB (0.55) —
SCHEMBL29846619 0.72 P2RX7 (0.51) MMP13
SCHEMBL29846471 0.72 HIF1A (0.47) MMP13
Hydrochloric Acid SCHEMBL17204716 0.71 KMT2A (0.40) F2RACACBMMP13
SCHEMBL1980839 0.71 F2R (0.43) F2RACACBSRPK1PIK3CDPRMT5

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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