SCHEMBL9823486

SCHEMBL9823486

O=C(Nc1nnn[nH]1)c1csc(-c2ccccc2O)n1.[Na]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.52
TDP1 Q9NUW8 2/20 0.44
TLR7 Q9NYK1 7/20 0.43
IRAK4 Q9NWZ3 3/20 0.41
MAPT P10636 3/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHEK1 O14757 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
IL1R1 P14778 1/20 0.40
PRKCA P17252 1/20 0.40
TNFRSF1A P19438 1/20 0.40

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 0.99 HTR2B (0.53) HTR2BTDP1TLR7IRAK4MAPT
Monoethanolamine SCHEMBL9823533 0.92 HTR2B (0.49) HTR2BTDP1TLR7IRAK4MAPT
SCHEMBL9823394 0.87 TDP1 (0.43) HTR2BTDP1TLR7IRAK4MAPT
SCHEMBL9823239 0.86 TDP1 (0.44) HTR2BTDP1TLR7IRAK4MAPT
SCHEMBL9823503 0.86 IRAK4 (0.48) TDP1TLR7IRAK4MAPTATM
SCHEMBL9823630 0.84 IRAK4 (0.50) TDP1TLR7IRAK4CHEK1NPC1
SCHEMBL9823477 0.84 TDP1 (0.64) TDP1TLR7IRAK4MAPTATM
SCHEMBL9823411 0.84 TLR7 (0.43) TDP1TLR7IRAK4PRKD3PRKCG
SCHEMBL9823806 0.84 MAPT (0.47) TDP1TLR7MAPTATMNPSR1
SCHEMBL9823568 0.83 TDP1 (0.42) TDP1TLR7IRAK4MAPTATM

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