SCHEMBL9823409

SCHEMBL9823409

O=C(Nc1nnn[nH]1)c1csc(-c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
TLR7 Q9NYK1 2/20 0.40
EIF4E P06730 4/20 0.39
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9823137 0.83 HTR2B (0.53) TDP1TLR7GAANPC1MEN1
SCHEMBL9823503 0.82 IRAK4 (0.48) TDP1TLR7IRAK4MAPTNPY1R
SCHEMBL9823239 0.82 TDP1 (0.44) TDP1TLR7IRAK4MAPTNPY1R
SCHEMBL9823486 0.82 HTR2B (0.52) TDP1TLR7GAANPC1MEN1
SCHEMBL9823477 0.81 TDP1 (0.64) TDP1TLR7GAANPC1MEN1
SCHEMBL9831974 0.81 DDX3X (0.44) DDX3XMGAMGAASIMGAM2
SCHEMBL9823492 0.81 MEN1 (0.42) TDP1GAANPC1MEN1POLB
SCHEMBL9833230 0.80 DDX3X (0.47) DDX3XEIF4EMGAMGAASI
SCHEMBL9823416 0.80 IRAK4 (0.51) TDP1TLR7NPC1MEN1RAB9A
SCHEMBL9823568 0.80 TDP1 (0.42) TDP1TLR7IRAK4MAPTNPY1R

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