SCHEMBL28296392

SCHEMBL28296392

C1=Cc2nc1c(-c1ccc3ccc4cccc5ccc1c3c45)c1ccc([nH]1)c(-c1ccc3ccc4cccc5ccc1c3c45)c1nc(c(-c3ccc4ccc5cccc6ccc3c4c56)c3ccc([nH]3)c2-c2ccc3ccc4cccc5ccc2c3c45)C=C1.[Co]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.38
▸ TOP1 P11387 2/20 0.37
▸ CYCS P99999 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35

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
SCHEMBL224502 0.98 TERT (0.39) TERTTOP1CYCSALDH1A1CYP3A4
SCHEMBL3459959 0.88 TOP1 (0.53) TERTTOP1CYCSENPP2
SCHEMBL13183875 0.85 TERT (0.40) TERTTOP1ALDH1A1CYP3A4HPGD
SCHEMBL226507 0.84 STAT3 (0.48) —
Hydrochloric Acid SCHEMBL3459214 0.83 TERT (0.61) TERTTOP1CYCSENPP2
SCHEMBL3459339 0.82 TOP1 (0.34) TERTTOP1CYCSENPP2
SCHEMBL430372 0.81 STAT3 (0.50) —
SCHEMBL3459223 0.78 TOP1 (0.46) TERTTOP1CYCSENPP2
SCHEMBL31055464 0.78 GSK3B (0.46) TERTTOP1CYCS
SCHEMBL31055466 0.78 GSK3B (0.46) TERTTOP1CYCS

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-109828002-A A kind of nitrogen dioxide gas sensitive based on four pyrenyl Cobalt Porphyrin aggregations 中国石油大学(华东) 2019-05-31 — — CN claimed
CN-109828002-A A kind of nitrogen dioxide gas sensitive based on four pyrenyl Cobalt Porphyrin aggregations 中国石油大学(华东) 2019-05-31 — — CN disclosed
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