SCHEMBL30719634

SCHEMBL30719634

O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.79
GAA P10253 3/20 0.79
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HTT P42858 1/20 0.68
LMNA P02545 2/20 0.68
ALOX5 P09917 1/20 0.68
PDE4A P27815 1/20 0.63
PDE4B Q07343 1/20 0.63
PDE4C Q08493 1/20 0.63
PDE4D Q08499 1/20 0.63
ENPP1 P22413 1/20 0.61
BCAT1 P54687 1/20 0.57
PSMB5 P28074 1/20 0.56
ALOX15 P16050 1/20 0.55
MAPT P10636 2/20 0.54

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
SCHEMBL9231347 1.00 NPSR1 (0.79) NPSR1GAAALDH1A1KDM4ECYP1A2
SCHEMBL22721524 0.85 NPSR1 (0.67) NPSR1GAAALDH1A1KDM4ECYP1A2
SCHEMBL4722433 0.85 NPSR1 (0.64) NPSR1GAAALDH1A1KDM4ECYP1A2
SCHEMBL29539897 0.85 NPSR1 (0.67) NPSR1GAAALDH1A1KDM4ECYP1A2
SCHEMBL28931888 0.85 NPSR1 (0.60) NPSR1GAAALDH1A1KDM4ECYP1A2
SCHEMBL24000702 0.85 NPSR1 (0.68) NPSR1GAAALDH1A1KDM4ECYP1A2
SCHEMBL9225993 0.83 NPSR1 (0.82) NPSR1GAAALDH1A1KDM4ECYP1A2
SCHEMBL29539654 0.83 NPSR1 (0.64) NPSR1GAAALDH1A1KDM4ECYP1A2
SCHEMBL22721744 0.83 NPSR1 (0.64) NPSR1GAAALDH1A1KDM4ECYP1A2
SCHEMBL9229195 0.82 NPSR1 (1.00) NPSR1GAAALDH1A1KDM4ECYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586191-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 CN disclosed
CN-117586108-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 CN disclosed
CN-111542515-B TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2023-12-05 CN disclosed