SCHEMBL28520085

SCHEMBL28520085

CCN1c2ccc(Br)cc2Sc2cc(C=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ ALDH1A1 P00352 10/20 0.38
▸ ALDH1A3 P47895 4/20 0.37
▸ ALDH3A1 P30838 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTGER4 P35408 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NOX1 Q9Y5S8 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PGR P06401 1/20 0.33

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
SCHEMBL8185277 0.91 ALDH1A1 (0.39) ALDH1A1ALDH1A3ALDH3A1TSHRMAPT
SCHEMBL29773802 0.91 ALDH1A1 (0.39) ALDH1A1ALDH1A3ALDH3A1TSHRMAPT
SCHEMBL15237156 0.86 DRD2 (0.49) PRMT1DRD2HTR2AHTR7HTR6
SCHEMBL27793882 0.84 PDF (0.41) PRMT1DRD2HTR2AHTR7HTR6
SCHEMBL31174408 0.84 PDF (0.41) PRMT1DRD2HTR2AHTR7HTR6
SCHEMBL4632567 0.84 ALDH1A1 (0.48) ALDH1A1MAPTTDP1MAOANOX1
SCHEMBL31481617 0.84 ALDH1A1 (0.48) ALDH1A1MAPTTDP1MAOANOX1
SCHEMBL28053125 0.81 ALDH1A3 (0.37) ALDH1A1ALDH1A3ALDH3A1MAPTTDP1
SCHEMBL627961 0.79 KDM1A (0.48) DRD2HTR2AHTR7HTR6ALDH1A1
SCHEMBL10787347 0.75 ALDH1A1 (0.40) DRD2HTR2AHTR7HTR6ALDH1A1

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-109232668-B Ferrocene derivative used as photo-oxidation-reduction catalyst in photopolymerization and composition thereof 安庆北化大科技园有限公司 2021-01-12 — — CN disclosed
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