SCHEMBL29846484

SCHEMBL29846484

Cc1nc2ccccn2c1C(=O)NCC1=NOC(Cc2ccccc2)C1C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HPGD P15428 1/20 0.45

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
SCHEMBL12295463 0.80 KDM4E (0.78) KDM4EHSD17B10NPSR1SMN1; SMN2LMNA
SCHEMBL29846550 0.79 SMN1; SMN2 (0.55) KDM4EHSD17B10NPSR1SMN1; SMN2LMNA
SCHEMBL29846401 0.78 KMT2A (0.39) KDM4EHSD17B10NPSR1SMN1; SMN2LMNA
SCHEMBL29846815 0.76 KMT2A (0.39) HSD17B10SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL29846516 0.76 KDM4E (0.40) KDM4ENPSR1ALDH1A1KMT2AMAPT
SCHEMBL29847076 0.75 LMNA (0.53) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL29846546 0.74 ELANE (0.34) KDM4ESMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL29846627 0.74 MAPT (0.57) SMN1; SMN2LMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL12294732 0.74 KDM4E (0.76) KDM4EHSD17B10NPSR1SMN1; SMN2LMNA
SCHEMBL2400067 0.74 KDM4E (0.71) KDM4EHSD17B10NPSR1SMN1; SMN2LMNA

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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