SCHEMBL30009908

SCHEMBL30009908

O=C(N[C@@H]1CCCC[C@H]1O)c1cnn2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.61
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
IRAK4 Q9NWZ3 9/20 0.53
HTT P42858 1/20 0.50
JAK2 O60674 1/20 0.49
NTRK1 P04629 1/20 0.49
TYK2 P29597 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
NLRP3 Q96P20 1/20 0.47

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
SCHEMBL18757491 0.86 HSD11B1 (0.58) HSD11B1KDM4EHSD17B10IRAK4HTT
SCHEMBL18754644 0.86 HSD11B1 (0.58) HSD11B1KDM4EHSD17B10IRAK4HTT
SCHEMBL22947094 0.85 KDM4E (0.67) HSD11B1KDM4EHSD17B10IRAK4HTT
SCHEMBL18754643 0.84 KDM4E (0.66) HSD11B1KDM4EHSD17B10IRAK4HTT
SCHEMBL21689538 0.84 KDM4E (0.66) HSD11B1KDM4EHSD17B10IRAK4HTT
SCHEMBL18757492 0.84 KDM4E (0.66) HSD11B1KDM4EHSD17B10IRAK4HTT
SCHEMBL18732210 0.84 KDM4E (0.66) HSD11B1KDM4EHSD17B10IRAK4HTT
SCHEMBL14368750 0.81 HSD11B1 (0.53) HSD11B1KDM4EHSD17B10IRAK4HTT
SCHEMBL31572582 0.79 HSD11B1 (0.58) HSD11B1KDM4EHSD17B10IRAK4JAK2
SCHEMBL30010027 0.79 HSD11B1 (0.61) HSD11B1KDM4EHSD17B10IRAK4HTT

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
EP-4041259-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO University of Houston System (US) 2022-08-17 EP disclosed