SCHEMBL5829567

SCHEMBL5829567

O=C(Nc1cccc(-n2nnnc2S)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
MAPT P10636 6/20 0.50
POLB P06746 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
THRB P10828 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
BLM P54132 1/20 0.47
MITF O75030 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5669641 0.85 POLB (0.54) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL5829094 0.84 KCNK3 (0.48) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5829495 0.84 RAB9A (0.49) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5828107 0.82 NPC1 (0.57) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5829149 0.81 NPC1 (0.53) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5829255 0.79 KCNK3 (0.58) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL8172135 0.78 ALDH1A1 (0.43) MAPTPOLBSMN1; SMN2MAPK1RAB9A
SCHEMBL8673675 0.78 ALDH1A1 (0.57) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL2979236 0.77 L3MBTL1 (0.41) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL1537861 0.77 IDO1 (0.54) MAPTPOLBMAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420292-B1 Stabilizers for use in substantially light-insensitive thermographic recording materials. AGFA GEVAERT (BE) 2006-06-28 EP disclosed
US-6908731-B2 Stabilizers for use in substantially light-insensitive thermographic recording materials AGFA-GEVAERT (BE) 2005-06-21 US disclosed