SCHEMBL9823593

SCHEMBL9823593

O=C(Nc1nnn[nH]1)c1csc(-c2cccnc2)n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.66
HDAC6 Q9UBN7 1/20 0.65
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
TLR7 Q9NYK1 1/20 0.61
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.59
HDAC2 Q92769 1/20 0.57
CHEK1 O14757 1/20 0.55
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL9823477 0.88 TDP1 (0.64) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL9823539 0.87 MAPT (0.60) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL9823214 0.82 TLR7 (0.49) HDAC6NPC1RAB9ATLR7MAPK1
SCHEMBL9823541 0.82 RAB9A (0.61) HDAC6NPC1RAB9ATLR7MAPK1
SCHEMBL9823592 0.82 MEN1 (0.48) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL9823543 0.82 IRAK4 (0.57) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL9823799 0.81 RAB9A (0.61) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL9823600 0.81 HDAC6 (0.64) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL9823502 0.80 TLR7 (0.65) IRAK4TLR7MAPK1ATMGAA
SCHEMBL9823455 0.80 IRAK4 (0.59) IRAK4NPC1RAB9ATLR7MAPT

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