SCHEMBL8886595

SCHEMBL8886595

CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)NC=[N+]2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
KDM4E B2RXH2 6/20 0.36
PAX3 P23760 1/20 0.36
FOXO1 Q12778 1/20 0.36
TSHR P16473 1/20 0.36
GDA Q9Y2T3 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
ADORA1 P30542 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL537507 0.75 ADORA1 (0.40) NOS1KDM4ETSHRALDH1A1GAA
SCHEMBL18519297 0.71 KDM4E (0.40) NOS1KDM4EPAX3FOXO1TSHR
SCHEMBL22036469 0.70 ALDH1A1 (0.43) NOS1KDM4EPAX3FOXO1TSHR
SCHEMBL442818 0.68 NOS1 (0.45) NOS1KDM4EPAX3FOXO1TSHR
SCHEMBL735411 0.67 GDA (0.72) GDA
SCHEMBL4337068 0.67 PAX3 (0.39) NOS1KDM4EPAX3FOXO1TSHR
SCHEMBL20064089 0.66 NOS1 (0.37) NOS1KDM4EPAX3FOXO1TSHR
SCHEMBL18519299 0.66 NOS1 (0.36) NOS1KDM4EPAX3FOXO1TSHR
SCHEMBL18490337 0.66 NOS1 (0.41) NOS1KDM4EPAX3FOXO1TSHR
SCHEMBL10001689 0.65 KDM4E (0.48) NOS1KDM4ETSHRGAAKMT2A

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-1997030064-A1 HEXITOL CONTAINING OLIGONUCLEOTIDES AND THEIR USE IN ANTISENSE STRATEGIES STICHTING REGA VZW (BE) 1997-08-21 WO disclosed