SCHEMBL31439752

SCHEMBL31439752

CCCCn1c(=O)cnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
KDM4E B2RXH2 9/20 0.60
HSD17B10 Q99714 3/20 0.60
TSHR P16473 2/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.58
HPGD P15428 1/20 0.57
TLR8 Q9NR97 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL28514330 1.00 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL31439757 1.00 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL30343292 0.95 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL29004523 0.95 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL28477692 0.94 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL30231092 0.94 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL28668094 0.94 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL11455551 0.90 KDM4E (0.63) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL30343301 0.90 KDM4E (0.63) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL31439711 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10TSHRLMNA

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
CN-119663301-A Preparation method and application of C3-cyanoalkyl substituted quinoxalinone 安阳工学院 2025-03-21 CN disclosed