SCHEMBL29846491

SCHEMBL29846491

NC(=O)C1CC(CNC(=O)c2ccccn2)=NO1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ SMYD3 Q9H7B4 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL25399160 0.84 HPGD (0.43) KMT2ASMN1; SMN2HPGDMAPK1HTT
SCHEMBL29846876 0.83 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2HPGDPOLBSMYD3
SCHEMBL29846549 0.81 NPC1 (0.51) SMN1; SMN2POLBMAPTNPC1RAB9A
SCHEMBL29846367 0.81 P2RX7 (0.50) KMT2AHPGDMAPTMEN1ALDH1A1
SCHEMBL29846651 0.81 P2RY12 (0.45) HPGDALDH1A1
SCHEMBL29846547 0.80 ADORA2A (0.41) KMT2AALDH1A1GRM5
SCHEMBL29846654 0.79 ITGB3 (0.31) —
SCHEMBL29846500 0.78 NPC1 (0.47) KMT2AMEN1NPC1RAB9A
SCHEMBL29846765 0.78 NSD2 (0.58) SMN1; SMN2HTTALDH1A1
SCHEMBL29846950 0.76 ALDH1A1 (0.49) HPGDPOLBMAPTALDH1A1NPC1

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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