SCHEMBL29846550

SCHEMBL29846550

Cc1nc2ccccn2c1C(=O)NCC1=NOC(Cc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KDM4E B2RXH2 7/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46

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
SCHEMBL29846897 0.83 KDM4E (0.60) SMN1; SMN2LMNAHTTL3MBTL1KDM4E
SCHEMBL12295463 0.80 KDM4E (0.78) SMN1; SMN2LMNAHTTL3MBTL1KDM4E
SCHEMBL29846484 0.79 KDM4E (0.54) SMN1; SMN2LMNAHTTL3MBTL1KDM4E
SCHEMBL29846802 0.77 TAS1R3 (0.43) HTTGAAKMT2A
SCHEMBL29846668 0.77 KLKB1 (0.42) SMN1; SMN2KDM4EALDH1A1GAANPC1
SCHEMBL29846710 0.77 SCD (0.47) GAAHPGDNPC1RAB9A
SCHEMBL29846606 0.76 KIT (0.37) —
SCHEMBL25403292 0.76 KDM4E (0.55) SMN1; SMN2LMNAHTTL3MBTL1KDM4E
SCHEMBL29846582 0.75 LMNA (0.53) SMN1; SMN2LMNAHTTPKMALDH1A1
SCHEMBL12294732 0.74 KDM4E (0.76) SMN1; SMN2LMNAHTTL3MBTL1KDM4E

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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