SCHEMBL29130622

SCHEMBL29130622

COc1ccc(Nc2ncnc(N)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
RAB9A P51151 3/20 0.69
KCNH2 Q12809 1/20 0.67
SCN5A Q14524 1/20 0.67
SCN9A Q15858 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.64
ADORA3 P0DMS8 1/20 0.64
SLC6A2 P23975 1/20 0.64
PDE4A P27815 1/20 0.64
KDR P35968 1/20 0.64
BCL6 P41182 1/20 0.63
KDM4E B2RXH2 2/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.57
JAK2 O60674 1/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
MEN1 O00255 4/20 0.57

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
SCHEMBL2456936 0.83 MAPT (0.72) MAPTRAB9ASMN1; SMN2KDM4EGAA
SCHEMBL29622027 0.82 ROCK1 (0.63) MAPTRAB9ASMN1; SMN2BCL6KDM4E
SCHEMBL2494840 0.81 RAB9A (1.00) MAPTRAB9AKCNH2SCN5ASCN9A
SCHEMBL21496119 0.81 SMN1; SMN2 (0.74) MAPTRAB9AKCNH2SCN5ASCN9A
SCHEMBL1390943 0.81 MAPT (0.71) MAPTRAB9AKCNH2SCN5ASCN9A
SCHEMBL14214597 0.80 SCN9A (1.00) MAPTRAB9AKCNH2SCN5ASCN9A
Chlorazanil SCHEMBL180422 0.78 ADORA3 (1.00) MAPTRAB9AKCNH2SCN5ASCN9A
SCHEMBL8236544 0.78 SMN1; SMN2 (1.00) MAPTRAB9AKCNH2SCN5ASCN9A
Chlorazanil SCHEMBL29652081 0.78 ADORA3 (1.00) MAPTRAB9AKCNH2SCN5ASCN9A
Amanozine SCHEMBL689928 0.78 BCL6 (1.00) MAPTRAB9AKCNH2SCN5ASCN9A

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-117298331-A Modified trehalose-based hydrogel for wound repair 上海迪派生物科技有限公司 2023-12-29 CN disclosed