SCHEMBL29496881

SCHEMBL29496881

Oc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Fe]

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.60
▸ CYCS P99999 3/20 0.59
▸ ENPP2 Q13822 1/20 0.54
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ TERT O14746 4/20 0.50
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL28447941 1.00 TOP1 (0.60) TOP1CYCSENPP2STAT3STAT1
SCHEMBL29403816 0.98 TOP1 (0.62) TOP1CYCSENPP2STAT3STAT1
SCHEMBL29585765 0.98 TOP1 (0.62) TOP1CYCSENPP2STAT3STAT1
SCHEMBL6292613 0.98 TOP1 (0.62) TOP1CYCSENPP2STAT3STAT1
SCHEMBL28049797 0.98 TOP1 (0.62) TOP1CYCSENPP2STAT3STAT1
SCHEMBL14181445 0.98 TOP1 (0.62) TOP1CYCSENPP2STAT3STAT1
SCHEMBL29496878 0.97 TOP1 (0.60) TOP1CYCSENPP2STAT3STAT1
SCHEMBL28442521 0.97 TOP1 (0.60) TOP1CYCSENPP2STAT3STAT1
SCHEMBL28436556 0.97 TOP1 (0.60) TOP1CYCSENPP2STAT3STAT1
SCHEMBL29496880 0.97 TOP1 (0.60) TOP1CYCSENPP2STAT3STAT1

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-111530312-B Preparation method of single-sheet type polysulfone bipolar membrane with side group bonded with porphyrin group 福建师范大学 2022-04-05 — — CN disclosed
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