SCHEMBL29846802

SCHEMBL29846802

Cc1nocc1C(=O)NCC1=NOC(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 3/20 0.43
▸ TAS1R1 Q7RTX1 3/20 0.43
▸ TAS1R2 Q8TE23 3/20 0.43
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL29846668 0.82 KLKB1 (0.42) GAACYP2C19CYP3A4CYP2C9CYP1A2
SCHEMBL29846875 0.80 CYP1A2 (0.63) HTTCYP2C19MEN1KMT2ACYP1A2
SCHEMBL29846951 0.80 CHRNB2 (0.57) HTTMEN1MAPK1KMT2A
SCHEMBL29846710 0.78 SCD (0.47) GAA
SCHEMBL29846550 0.77 SMN1; SMN2 (0.55) HTTGAAKMT2A
SCHEMBL29846366 0.77 ROCK2 (0.50) MAPK1
SCHEMBL29846578 0.77 BCHE (0.49) KMT2A
SCHEMBL29846349 0.76 CXCR5 (0.43) KMT2A
SCHEMBL29846562 0.76 SMN1; SMN2 (0.65) CYP2C19MEN1MAPK1KMT2ACYP1A2
SCHEMBL29846664 0.76 KMT2A (0.50) TAS1R3TAS1R1TAS1R2GAAKMT2A

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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