SCHEMBL30719611

SCHEMBL30719611

COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
LMNA P02545 4/20 0.72
ALDH1A1 P00352 4/20 0.67
TP53 P04637 2/20 0.67
HPGD P15428 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPK1 P28482 1/20 0.67
HRH3 Q9Y5N1 4/20 0.60
MAPT P10636 3/20 0.58
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
KMT2A Q03164 1/20 0.56
ENPP1 P22413 1/20 0.55

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
SCHEMBL8864708 1.00 KDM4E (0.72) KDM4ELMNAALDH1A1TP53HPGD
SCHEMBL12372657 0.84 POLB (0.64) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL8224982 0.84 HPGD (0.74) KDM4ELMNAALDH1A1TP53HPGD
SCHEMBL5195982 0.84 KDM4E (0.57) KDM4ELMNAALDH1A1TP53HPGD
SCHEMBL1785806 0.84 KDM4E (0.57) KDM4ELMNAALDH1A1TP53HPGD
SCHEMBL20682180 0.83 POLB (0.62) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL8864677 0.83 HPGD (0.70) ALDH1A1HPGDSMN1; SMN2MAPK1MAPT
SCHEMBL8864802 0.81 HPGD (0.67) LMNAALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL29382447 0.81 SMN1; SMN2 (0.70) KDM4ELMNAALDH1A1TP53HPGD
SCHEMBL8865071 0.81 HPGD (0.67) KDM4EALDH1A1TP53HPGDSMN1; SMN2

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