SCHEMBL5829094

SCHEMBL5829094

O=C(Nc1cccc(-n2nnnc2S)c1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.48
KMT2A Q03164 8/20 0.47
MEN1 O00255 6/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.44
PSMD14 O00487 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.43

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 0.89 POLB (0.54) KCNK3KMT2AMEN1NPC1RAB9A
SCHEMBL5829495 0.88 RAB9A (0.49) KCNK3KMT2AMEN1NPC1RAB9A
SCHEMBL14498666 0.87 CNR1 (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL5828107 0.85 NPC1 (0.57) KCNK3KMT2AMEN1NPC1RAB9A
SCHEMBL5829567 0.84 MEN1 (0.50) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL5829149 0.84 NPC1 (0.53) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL5829255 0.83 KCNK3 (0.58) KCNK3KMT2AMEN1NPC1RAB9A
SCHEMBL8172135 0.81 ALDH1A1 (0.43) NPC1RAB9AGAAL3MBTL1SMN1; SMN2
SCHEMBL1537861 0.80 IDO1 (0.54) NPC1RAB9AGAAL3MBTL1MAPT
SCHEMBL2979236 0.80 L3MBTL1 (0.41) KMT2AMEN1NPC1RAB9AKDM4E

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