SCHEMBL22135151

SCHEMBL22135151

CC(C)CCCNC(=O)N(C)CC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
PIK3CD O00329 2/20 0.38
HSD17B10 Q99714 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNK3 O14649 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL1768961 0.79 KDM4E (0.34) KDM4ECHRNB2CHRNB4CHRNA4CNR2
SCHEMBL22135150 0.79 LMNA (0.47) KDM4EHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL1768963 0.79 KDM4E (0.34) KDM4ECHRNB2CHRNB4CHRNA4CNR2
SCHEMBL22135161 0.78 ALDH1A1 (0.34) KDM4ECHRNB2CHRNB4CHRNA4ALDH1A1
SCHEMBL22135145 0.76 NAMPT (0.38) KDM4EPIK3CDCNR2CNR1ALDH1A1
SCHEMBL22135155 0.76 PIK3CD (0.41) PIK3CDHSD17B10CHRNB2CHRNB4CHRNA4
SCHEMBL29306397 0.74 HSD17B10 (0.48) KDM4EPIK3CDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1768397 0.73 KDM4E (0.35) KDM4ECNR2CNR1GAARAB9A
SCHEMBL1768399 0.73 KDM4E (0.35) KDM4ECNR2CNR1GAARAB9A
SCHEMBL22135163 0.72 HSD17B10 (0.38) PIK3CDHSD17B10CHRNB2CHRNB4CHRNA4

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
WO-2020132566-A1 STING PYRAZOLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed