SCHEMBL25921184

SCHEMBL25921184

O=C(COc1ccccc1)Nc1nc(NC(=O)COc2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ADORA3 P0DMS8 4/20 0.53
ADORA2A P29274 4/20 0.53
ADORA1 P30542 2/20 0.48
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
ALOX12 P18054 1/20 0.47
ALPL P05186 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NOTUM Q6P988 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6933552 0.82 ALPL (0.52) GAAADORA3ADORA2ARAB9ANPC1
SCHEMBL8764928 0.82 CDK8 (0.37) GAARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5492353 0.79 GAA (0.57) GAAADORA3ADORA2AADORA1RAB9A
SCHEMBL1970068 0.77 NPC1 (0.58) GAAADORA3ADORA2AADORA1RAB9A
SCHEMBL24917369 0.76 GAA (0.59) GAAADORA3ADORA2AADORA1RAB9A
SCHEMBL8121389 0.76 BRD4 (0.51) ADORA3ADORA2AADORA1HPGD
SCHEMBL5694112 0.72 NPC1 (0.49) GAAADORA3ADORA2ARAB9ANPC1
SCHEMBL6933558 0.72 BRD4 (0.63) RAB9ANPC1TP53ALPLLMNA
SCHEMBL30536136 0.72 BRD4 (0.63) RAB9ANPC1TP53ALPLLMNA
SCHEMBL5694094 0.71 XDH (0.51) GAAADORA3ADORA2ARAB9ANPC1

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
WO-2023140040-A1 AMIDITE MONOMER 国立大学法人東海国立大学機構 2023-07-27 WO disclosed