SCHEMBL28913489

SCHEMBL28913489

Nc1nc(N)nc(CCc2ccco2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
ADORA2A P29274 5/20 0.39
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
DHFR P00374 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
Furfuryl Alcohol SCHEMBL1308222 0.77 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL8146532 0.77 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15USP2HPGD
SCHEMBL14869657 0.76 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL22149108 0.74 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15USP2HPGD
SCHEMBL14869723 0.74 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL5032270 0.73 KCNH3 (0.59) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL4448651 0.72 CASP1 (0.77) CASP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL270296 0.71
SCHEMBL9376259 0.69 GFER (0.56) ALDH1A1CYP3A4ALOX15USP2HPGD
SCHEMBL14869579 0.69 CYP1A2 (0.45) CASP1ALDH1A1CYP3A4ALOX15USP2

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-107850859-B Stripping composition for removing photoresist on semiconductor substrate 富士胶片电子材料美国有限公司 2021-06-01 CN disclosed