SCHEMBL9823600

SCHEMBL9823600

O=C(Nc1nnn[nH]1)c1csc(-c2cnccn2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
PIM1 P11309 2/20 0.43
IRAK4 Q9NWZ3 6/20 0.41
TLR7 Q9NYK1 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PIM3 Q86V86 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 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
Monoethanolamine SCHEMBL10552508 0.93 HDAC6 (0.56) HDAC6HDAC1HDAC8PIM1IRAK4
SCHEMBL9823432 0.84 TLR7 (0.50) PIM1TLR7
SCHEMBL10625332 0.81 NPC1 (0.50) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL9823539 0.81 MAPT (0.60) HDAC6HDAC1HDAC8IRAK4TLR7
SCHEMBL9823593 0.81 IRAK4 (0.66) HDAC6IRAK4TLR7NPC1RAB9A
SCHEMBL2553430 0.77 HDAC6 (0.77) HDAC6HDAC1HDAC8PIM1IRAK4
SCHEMBL9823605 0.77 MAPT (0.41) PIM1IRAK4TLR7NPC1RAB9A
SCHEMBL9823477 0.77 TDP1 (0.64) HDAC6HDAC1HDAC8IRAK4TLR7
SCHEMBL9823352 0.76 TDP1 (0.42) HDAC6HDAC1HDAC8IRAK4TLR7
SCHEMBL9823592 0.76 MEN1 (0.48) HDAC6HDAC1HDAC8IRAK4TLR7

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