SCHEMBL29035880

SCHEMBL29035880

COc1cccc(-c2nc(-c3ccccc3)n[nH]2)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.89
NR1H3 Q13133 5/20 0.89
ADORA2A P29274 6/20 0.71
ADORA1 P30542 4/20 0.71
DCUN1D1 Q96GG9 1/20 0.65
GRK6 P43250 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ATAD2 Q6PL18 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL30149870 1.00 NR1H2 (0.89) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL17279794 0.92 NR1H2 (0.86) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL17280021 0.86 NR1H2 (0.81) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL17279684 0.86 NR1H2 (0.67) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL12172015 0.85 NR1H2 (0.74) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL15025693 0.84 NR1H2 (0.73) NR1H2NR1H3ADORA2AADORA1NPC1
SCHEMBL6697544 0.84 NR1H2 (0.67) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL6685412 0.84 NR1H2 (0.67) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL27852106 0.84 NR1H2 (0.71) NR1H2NR1H3ADORA2AADORA1DCUN1D1
SCHEMBL6450315 0.84 NR1H2 (0.67) NR1H2NR1H3ADORA2AADORA1DCUN1D1

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
CN-115532318-B MOF-supported metal catalyst and preparation method and application thereof 江南大学 2023-07-21 CN disclosed
CN-115532318-A MOF-loaded metal catalyst and preparation method and application thereof 江南大学 2022-12-30 CN disclosed