SCHEMBL29608976

SCHEMBL29608976

COc1ccc(Nc2cc(N(C)C)nc(N)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.68
MAPT P10636 7/20 0.66
GAA P10253 3/20 0.66
POLB P06746 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NUDT1 P36639 1/20 0.54
DHFR P00374 3/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 5/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
GALR2 O43603 2/20 0.47
NR4A1 P22736 1/20 0.46
KDM4E B2RXH2 3/20 0.46
JAK2 O60674 1/20 0.46
PKM P14618 1/20 0.46
AGPAT2 O15120 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
SCHEMBL28736413 1.00 RAB9A (0.68) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL2408726 0.86 RAB9A (0.82) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL3243396 0.84 NUDT1 (0.58) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL29609269 0.84 NUDT1 (0.58) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL29609803 0.82 NUDT1 (0.57) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL28229108 0.82 NUDT1 (0.57) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL29610529 0.81 RAB9A (0.73) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL28736336 0.81 RAB9A (0.73) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL13288391 0.79 MAPT (1.00) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL28861466 0.78 NPC1 (0.55) RAB9AMAPTGAASMN1; SMN2NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191774-B Heterocyclic compound, preparation method and application thereof 中国药科大学 2022-05-24 CN disclosed