SCHEMBL9823490

SCHEMBL9823490

CCCCCCCCCCCCCCCCCCOc1ccccc1-c1nc(C(=O)Nc2nnn[nH]2)cs1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.42
PIM1 P11309 4/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
FAAH O00519 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR7 Q9NYK1 2/20 0.40
PDE5A O76074 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PTPN1 P18031 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL9823416 0.84 IRAK4 (0.51) KDM4EHSD17B10TLR7PDE4BIRAK4
SCHEMBL10553815 0.84 PTGER1 (0.50) TLR7
SCHEMBL9823609 0.83 IRAK4 (0.50) KDM4EHSD17B10TLR7PDE4BIRAK4
SCHEMBL9823630 0.83 IRAK4 (0.50) KDM4EHSD17B10TLR7PDE4BIRAK4
SCHEMBL9823191 0.82 IRAK4 (0.42) TLR7PDE5AIRAK4
SCHEMBL9823239 0.79 TDP1 (0.44) TLR7IRAK4
SCHEMBL9823503 0.79 IRAK4 (0.48) TLR7IRAK4
SCHEMBL9823240 0.79 ACHE (0.51) CNR2FAAHKDM4EPDE5APDE4A
SCHEMBL9823137 0.78 HTR2B (0.53) KDM4ETLR7IRAK4
SCHEMBL9823486 0.77 HTR2B (0.52) KDM4ETLR7IRAK4

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
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 EP disclosed