SCHEMBL18754644

SCHEMBL18754644

CC1CCCCCCCCCC1NC(=O)c1cnn2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.58
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
IRAK4 Q9NWZ3 10/20 0.53
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.48

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 1.00 HSD11B1 (0.58) HSD11B1HSD17B10KDM4EIRAK4HTT
SCHEMBL30009908 0.86 HSD11B1 (0.61) HSD11B1HSD17B10KDM4EIRAK4HTT
SCHEMBL18754643 0.84 KDM4E (0.66) HSD11B1HSD17B10KDM4EIRAK4HTT
SCHEMBL18757492 0.84 KDM4E (0.66) HSD11B1HSD17B10KDM4EIRAK4HTT
SCHEMBL21689538 0.84 KDM4E (0.66) HSD11B1HSD17B10KDM4EIRAK4HTT
SCHEMBL18732210 0.84 KDM4E (0.66) HSD11B1HSD17B10KDM4EIRAK4HTT
SCHEMBL22947094 0.83 KDM4E (0.67) HSD11B1HSD17B10KDM4EIRAK4HTT
SCHEMBL14368750 0.81 HSD11B1 (0.53) HSD11B1HSD17B10KDM4EIRAK4HTT
SCHEMBL31572582 0.80 HSD11B1 (0.58) HSD11B1HSD17B10KDM4EIRAK4JAK2
SCHEMBL30010027 0.77 HSD11B1 (0.61) HSD11B1HSD17B10KDM4EIRAK4HTT

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-3156405-A1 SPIROCYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE Boehringer Ingelheim International GmbH (DE) 2017-04-19 EP disclosed