SCHEMBL29974035

SCHEMBL29974035

CC(=O)On1ncc2ncc(N3CCC(C)(C)CC3)nc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CNR1 P21554 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE10A Q9Y233 1/20 0.30
HCAR2 Q8TDS4 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
Hydrochloric Acid SCHEMBL23045212 0.99 PTPN11 (0.34) PTPN11MAPK3MAPK1HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL23045209 0.82 MAPT (0.35) HCRTR1HCRTR2CKS1BSKP1SKP2
SCHEMBL23055431 0.76 GRIN2B (0.38) PTPN11MAPK3MAPK1HCRTR1HCRTR2
SCHEMBL23055428 0.73 KDM4E (0.36) CKS1BSKP1SKP2ALDH1A1
Hydrochloric Acid SCHEMBL23045211 0.67 JAK2 (0.34) ALDH1A1HSD17B10
SCHEMBL23045224 0.66 CCR4 (0.32)
Hydrochloric Acid SCHEMBL23045210 0.64 MAPT (0.38) ALDH1A1HPGD
SCHEMBL20180620 0.60 KCNH2 (0.41) PTPN11CYP11B1CYP11B2
SCHEMBL23055669 0.59 GRIN2B (0.39) CKS1BSKP1SKP2ALDH1A1HCAR2
Hydrochloric Acid SCHEMBL28926964 0.59 GRIN2B (0.38) CKS1BSKP1SKP2ALDH1A1HCAR2

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
CN-115397467-A Therapeutic agent for tauopathy 住友制药株式会社 2022-11-25 CN disclosed