SCHEMBL29934771

SCHEMBL29934771

COc1nc2ccccc2cc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.61
KDM4E B2RXH2 5/20 0.49
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
TLR8 Q9NR97 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BTK Q06187 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IRAK1 P51617 2/20 0.43
PLA2G10 O15496 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 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
SCHEMBL4432713 1.00 IKBKB (0.61) IKBKBKDM4EPPARDPPARATLR8
SCHEMBL22263501 0.85 PPARD (0.47) IKBKBKDM4EPPARDPPARATLR8
SCHEMBL3715949 0.85 KDM4E (0.56) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL31423348 0.85 KDM4E (0.56) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL6603045 0.84 KDM4E (0.51) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL15564276 0.83 IKBKB (0.45) IKBKBKDM4EPPARDPPARATLR8
SCHEMBL15563826 0.83 ALDH1A1 (0.52) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL2913722 0.83 ALDH1A1 (0.57) IKBKBKDM4EPPARATLR8SMN1; SMN2
SCHEMBL15945346 0.81 SMN1; SMN2 (0.50) IKBKBKDM4EPPARDPPARAMAPT
SCHEMBL8130480 0.81 IKBKB (0.58) IKBKBKDM4EPPARDPPARASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed