SCHEMBL23905397

SCHEMBL23905397

CNC(=O)c1cc(OC2CC2)c2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
PLK1 P53350 1/20 0.50
DYRK1A Q13627 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PSMD14 O00487 1/20 0.43
STAMBP O95630 1/20 0.43
COPS5 Q92905 1/20 0.43
PDE4D Q08499 3/20 0.43
POLB P06746 1/20 0.43
HRH1 P35367 6/20 0.42
KCNH2 Q12809 6/20 0.42
RIPK1 Q13546 1/20 0.42
KAT2B Q92831 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL23195925 0.86 HTT (0.51) MEN1HPGDKMT2APSMD14PDE4D
SCHEMBL23195592 0.85 LMNA (0.44) PDE4DHRH1KCNH2LMNACYP3A4
SCHEMBL29620722 0.85 LMNA (0.44) PDE4DHRH1KCNH2LMNACYP3A4
SCHEMBL23905676 0.83 HPGDS (0.67) HPGDSPLK1DYRK1ASMN1; SMN2MEN1
SCHEMBL23166684 0.82 HRH1 (0.45) POLBHRH1KCNH2CYP3A4CYP2D6
SCHEMBL23905326 0.81 HRH1 (0.41) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL23905722 0.81 HPGDS (0.45) HPGDSHPGDPSMD14STAMBPCOPS5
SCHEMBL22428729 0.75 HRH1 (0.48) PDE4DHRH1KCNH2CYP3A4CYP2D6
SCHEMBL30873829 0.75 HRH1 (0.48) PDE4DHRH1KCNH2CYP3A4CYP2D6
SCHEMBL30744840 0.74 KMO (0.44) PSMD14PDE4DPOLBKCNH2LMNA

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed