SCHEMBL28848951

SCHEMBL28848951

c1ccc(-c2cccc3cc4cc5cc6cc7cc8ccccc8cc7cc6cc5cc4cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
MPI P34949 1/20 0.47
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
HSD17B10 Q99714 4/20 0.41
HIF1A Q16665 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
CASP1 P29466 2/20 0.41
TP53 P04637 1/20 0.41
CASP7 P55210 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 2/20 0.40

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
SCHEMBL3260909 1.00 TNF (0.48) TNFALDH1A1HPGDKDM4EMEN1
SCHEMBL23327305 1.00 TNF (0.48) TNFALDH1A1HPGDKDM4EMEN1
SCHEMBL1309613 1.00 TNF (0.48) TNFALDH1A1HPGDKDM4EMEN1
SCHEMBL60347 0.98 TNF (0.50) TNFALDH1A1HPGDKDM4EMEN1
SCHEMBL30332794 0.98 TNF (0.50) TNFALDH1A1HPGDKDM4EMEN1
SCHEMBL17443013 0.96 TNF (0.46) TNFALDH1A1HPGDKDM4EMEN1
Biphenyl SCHEMBL27655664 0.96 TNF (0.48) TNFALDH1A1HPGDKDM4EMEN1
Hydrogen Sulfide SCHEMBL9011637 0.96 TNF (0.48) TNFALDH1A1HPGDKDM4EMEN1
Hydrogen Sulfide SCHEMBL9349313 0.96 TNF (0.48) TNFALDH1A1HPGDKDM4EMEN1
SCHEMBL27675918 0.96 TNF (0.47) TNFALDH1A1HPGDKDM4EMEN1

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-114975818-A Inkjet recording medium for organic semiconductor device, member for organic semiconductor device, and method for manufacturing organic semiconductor device 柯尼卡美能达株式会社 2022-08-30 CN disclosed