SCHEMBL31448489

SCHEMBL31448489

O=c1cnc2ccccc2n1CC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
KDM4E B2RXH2 9/20 1.00
HSD17B10 Q99714 3/20 1.00
NPSR1 Q6W5P4 2/20 1.00
HPGD P15428 1/20 0.54
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
PRKACA P17612 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
SCHEMBL30644926 0.96 KDM4E (0.92) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL28672957 0.96 KDM4E (0.92) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL28600041 0.93 KDM4E (0.86) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL30049995 0.93 KDM4E (0.86) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL10285226 0.80 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL2795578 0.78 KDM4E (0.64) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL31259128 0.77 KDM4E (0.62) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL28404370 0.75 KDM4E (0.59) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL31033167 0.74 KDM4E (0.59) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL1161408 0.73 KDM4E (0.64) ALDH1A1KDM4EHSD17B10NPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684221-A Synthesis method and application of C-3-hydroxyfluoroalkyl substituted quinoxalinone derivative 天津科技大学 2025-03-25 CN claimed
CN-119913525-A Electrochemical synthesis method of 3-aryl quinoxalinone compound 新疆大学 2025-05-02 CN disclosed
CN-119684221-A Synthesis method and application of C-3-hydroxyfluoroalkyl substituted quinoxalinone derivative 天津科技大学 2025-03-25 CN disclosed