SCHEMBL30739549

SCHEMBL30739549

Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5ccc(OCCCCCCBr)cc5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.42
▸ CYCS P99999 3/20 0.41
▸ ENPP2 Q13822 1/20 0.38
▸ TERT O14746 3/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL27814700 0.87 TOP1 (0.48) TOP1CYCSENPP2TERTABCG2
SCHEMBL588821 0.84 TERT (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL585218 0.84 TERT (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL28355568 0.83 TOP1 (0.49) TOP1CYCSENPP2TERTABCG2
SCHEMBL27793465 0.82 TOP1 (0.47) TOP1CYCSENPP2TERTABCG2
SCHEMBL14350959 0.81 ABCG2 (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL2531376 0.79 TERT (0.49) TOP1CYCSENPP2TERTABCG2
SCHEMBL8031578 0.79 TERT (0.49) TOP1CYCSENPP2TERTABCG2
SCHEMBL12190732 0.79 TERT (0.49) TOP1CYCSENPP2TERTABCG2
SCHEMBL14806849 0.78 MAOA (0.40) TOP1CYCSTERT

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-117384336-A Preparation method of cobalt porphyrin covalent grafting phenolic resin and application of cobalt porphyrin covalent grafting phenolic resin in electrocatalytic oxygen reduction 陕西师范大学 2024-01-12 — — CN disclosed
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