SCHEMBL9823592

SCHEMBL9823592

O=C(Nc1nnn[nH]1)c1csc(-c2cncc(Br)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 2/20 0.45
TLR7 Q9NYK1 2/20 0.44
IRAK4 Q9NWZ3 9/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL9823539 0.83 MAPT (0.60) MEN1KMT2AHDAC6TLR7IRAK4
SCHEMBL9823593 0.82 IRAK4 (0.66) HDAC6TLR7IRAK4NPC1RAB9A
SCHEMBL9823477 0.79 TDP1 (0.64) MEN1KMT2AHDAC6TLR7IRAK4
SCHEMBL9823214 0.78 TLR7 (0.49) MEN1KMT2AHDAC6TLR7HDAC1
SCHEMBL9823541 0.78 RAB9A (0.61) MEN1KMT2AHDAC6TLR7HDAC1
SCHEMBL9823799 0.77 RAB9A (0.61) MEN1KMT2AHDAC6TLR7IRAK4
SCHEMBL9823363 0.77 IRAK4 (0.48) TLR7IRAK4NPC1RAB9ALMNA
SCHEMBL9823600 0.76 HDAC6 (0.64) MEN1KMT2AHDAC6TLR7IRAK4
SCHEMBL9823543 0.76 IRAK4 (0.57) MEN1KMT2AHDAC6TLR7IRAK4
SCHEMBL9823391 0.75 TLR7 (0.48) HDAC6TLR7IRAK4HDAC1HDAC8

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