SCHEMBL29794191

SCHEMBL29794191

CC(C)Cc1nc(N)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.40
NOS3 P29474 3/20 0.40
NOS1 P29475 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.35
HRH4 Q9H3N8 4/20 0.33
HRH3 Q9Y5N1 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL29794184 0.80 PDE9A (0.32) NOS2NOS3NOS1
SCHEMBL28518457 0.77 NOS3 (0.37) NOS2NOS3NOS1KDM4EMAPT
SCHEMBL3324135 0.77 KDM4E (0.37) NOS2NOS3NOS1KDM4EMAPT
SCHEMBL1199229 0.76
SCHEMBL12120608 0.75 TSHR (0.35) KDM4EMAPTTSHRGSK3BADORA3
Hydrochloric Acid SCHEMBL27869466 0.75 KDM4E (0.37) NOS2NOS3NOS1KDM4EMAPT
Hydrochloric Acid SCHEMBL1845635 0.75 KDM4E (0.37) KDM4EMAPTTSHRHRH4HRH3
Water SCHEMBL27918105 0.75 NOS3 (0.36) NOS2NOS3NOS1KDM4EMAPT
Hydrochloric Acid SCHEMBL29268611 0.73 KDM4E (0.36) NOS2NOS3NOS1KDM4EMAPT
SCHEMBL12123982 0.73 TSHR (0.34) NOS2NOS3NOS1KDM4EMAPT

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-4051270-A1 4-AMINO-IMIDAZOQUINOLINE COMPOUNDS AND USE THEREOF Prime Reach Trading Limited (WS) 2022-09-07 EP disclosed