SCHEMBL29846522

SCHEMBL29846522

Cc1cn2cccc(C(=O)NCC3=NOC(C(N)=O)C3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 13/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL29846367 0.75 P2RX7 (0.50) HPGDALDH1A1MAPT
SCHEMBL29846897 0.73 KDM4E (0.60) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL29846500 0.72 NPC1 (0.47) —
SCHEMBL29846854 0.72 UTS2R (0.36) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL29846516 0.72 KDM4E (0.40) HTR4IRAK4KDM4EMAPK1HPGD
SCHEMBL25401415 0.70 IRAK4 (0.38) HTR4IRAK4KDM4EMAPK1HPGD
SCHEMBL29846393 0.70 POLB (0.50) KDM4EHPGDALDH1A1MAPT
SCHEMBL10053605 0.70 DHODH (0.46) IRAK4KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL29846547 0.70 ADORA2A (0.41) ALDH1A1
SCHEMBL29846765 0.69 NSD2 (0.58) ALDH1A1

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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