SCHEMBL3793508

SCHEMBL3793508

O=C(O)Nc1nc(Cl)nc(Nc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 4/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
MAPK1 P28482 1/20 0.53
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
PDE4B Q07343 4/20 0.51
AURKA O14965 2/20 0.49
NFKB1 P19838 1/20 0.49
PDE4D Q08499 3/20 0.48
RHOA P61586 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL304437 0.92 POLB (0.63) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4094573 0.89 NFKB1 (0.61) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1023029 0.83 NPC1 (0.71) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23321477 0.82 POLB (0.68) POLBSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL29874885 0.82 NPC1 (0.69) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4569980 0.79 RHOA (0.72) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL24942659 0.78 AURKA (0.59) SMN1; SMN2NPC1RAB9APDE4BAURKA
SCHEMBL13852882 0.78 POLB (0.61) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL18516810 0.76 NPC1 (0.68) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL17212282 0.76 NPC1 (0.68) POLBSMN1; SMN2NPC1RAB9AMEN1

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
US-7718219-B2 Method for forming channel patterns with chromonic materials 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-05-18 US disclosed
US-20090004436-A1 METHOD FOR FORMING CHANNEL PATTERNS WITH CHROMONIC MATERIALS 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed