SCHEMBL30719641

SCHEMBL30719641

O=c1[nH]nc(-c2ccc(O)c3ccccc23)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ROCK1 Q13464 7/20 0.49
ROCK2 O75116 2/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL23496942 1.00 ATM (0.59) ATMNPSR1ROCK1ROCK2KDM4E
SCHEMBL28988471 0.85 ATM (0.61) ATMNPSR1ROCK1ROCK2KDM4E
SCHEMBL27348252 0.78 ATM (0.49) ATMNPSR1ROCK1ROCK2KDM4E
SCHEMBL30954305 0.78 ATM (0.49) ATMNPSR1ROCK1ROCK2KDM4E
SCHEMBL2230907 0.78 ATM (0.61) ATMNPSR1ROCK1ROCK2KDM4E
SCHEMBL14124174 0.77 ROCK1 (0.56) ATMNPSR1ROCK1KDM4EALDH1A1
SCHEMBL14124179 0.77 ATM (0.64) ATMNPSR1ROCK1ROCK2KDM4E
SCHEMBL14124148 0.77 NPSR1 (0.51) ATMNPSR1ROCK1ROCK2KDM4E
SCHEMBL29360632 0.77 ATM (0.64) ATMNPSR1ROCK1ROCK2KDM4E
SCHEMBL1904310 0.76 ATM (0.73) ATMNPSR1ROCK1ROCK2KDM4E

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