SCHEMBL9823609

SCHEMBL9823609

COc1ccccc1-c1nc(C(=O)Nc2nnn[nH]2)cs1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.50
KDM4E B2RXH2 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.46
TLR7 Q9NYK1 3/20 0.46
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
AHR P35869 1/20 0.44
TSHR P16473 1/20 0.42
SHMT2 P34897 2/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
CHEK1 O14757 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL9823416 0.99 IRAK4 (0.51) IRAK4KDM4ERAB9ANPC1TLR7
SCHEMBL9823630 0.98 IRAK4 (0.50) IRAK4KDM4ERAB9ANPC1TLR7
SCHEMBL9823191 0.88 IRAK4 (0.42) IRAK4TLR7TSHRMAOAACHE
SCHEMBL9823183 0.85 IRAK4 (0.52) IRAK4KDM4ERAB9ANPC1TLR7
SCHEMBL9823503 0.84 IRAK4 (0.48) IRAK4TLR7HPGDACHETDP1
SCHEMBL9823239 0.84 TDP1 (0.44) IRAK4TLR7ACHECHEK1TDP1
SCHEMBL10553815 0.84 PTGER1 (0.50) TLR7TDP1
SCHEMBL9823490 0.83 CNR2 (0.42) IRAK4KDM4ETLR7HSD17B10PDE4B
SCHEMBL9823137 0.83 HTR2B (0.53) IRAK4KDM4ERAB9ANPC1TLR7
SCHEMBL9823486 0.82 HTR2B (0.52) IRAK4KDM4ERAB9ANPC1TLR7

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