SCHEMBL6984067

SCHEMBL6984067

O=C(Nc1cnns1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
BCAT2 O15382 1/20 0.50
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
KDR P35968 1/20 0.47
NAMPT P43490 1/20 0.47
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47

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
SCHEMBL27816724 0.87 RAB9A (0.56) RIPK1TP53SMN1; SMN2NPC1RAB9A
Thidiazuron SCHEMBL1808496 0.79 SMN1; SMN2 (0.57) TP53SMN1; SMN2MAPTNPC1RAB9A
Thidiazuron SCHEMBL121077 0.79 SMN1; SMN2 (0.57) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11282790 0.79
Thidiazuron SCHEMBL20723866 0.78 SMN1; SMN2 (0.55) TP53SMN1; SMN2MAPTNPC1RAB9A
Thidiazuron SCHEMBL15553871 0.78 SMN1; SMN2 (0.55) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11336495 0.77 CCNE1 (0.47) RIPK1TP53SMN1; SMN2MAPTNPC1
SCHEMBL10980189 0.76 BAZ1A (0.50) RIPK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8374462 0.74 SMN1; SMN2 (0.49) RIPK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11393556 0.74 RIPK1 (0.41) RIPK1SMN1; SMN2MAPTNPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288556-B2 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2007-10-30 US disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
US-3946000-A BACTERICIDES, POULTRY, ANIMALS BRISTOL-MYERS COMPANY (US) 1976-03-23 US disclosed