Sugi Predict

Sugi Predict / Compounds / SCHEMBL28369968

SCHEMBL28369968

SCHEMBL28369968

Fc1ccc(-c2c3nc(c(-c4ccc(F)cc4)c4ccc([nH]4)c(-c4ccc(F)cc4)c4nc(c(-c5ccc(F)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Mn]

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.58
▸ CYCS P99999 3/20 0.57
▸ TERT O14746 3/20 0.56
▸ ENPP2 Q13822 1/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL30092778 0.98 TOP1 (0.60) TOP1CYCSTERTENPP2ABCG2
SCHEMBL10592809 0.98 TOP1 (0.60) TOP1CYCSTERTENPP2ABCG2
SCHEMBL29437853 0.96 TOP1 (0.58) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28346272 0.96 TOP1 (0.58) TOP1CYCSTERTENPP2ABCG2
SCHEMBL21066839 0.95 TOP1 (0.57) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28494180 0.89 TOP1 (0.55) TOP1CYCSTERTENPP2ABCG2
SCHEMBL9588215 0.83 TOP1 (0.48) TOP1CYCSTERTENPP2
SCHEMBL28365734 0.81 TOP1 (0.58) TOP1CYCSTERTENPP2ABCG2
SCHEMBL29002878 0.81 TOP1 (0.58) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31268231 0.81 TERT (0.60) TOP1CYCSTERTENPP2ABCG2

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-110560169-A Cycloparaffin catalytic oxidation method promoted by iron porphyrin 浙江工业大学 2019-12-13 — — CN claimed
CN-110560169-A Cycloparaffin catalytic oxidation method promoted by iron porphyrin 浙江工业大学 2019-12-13 — — CN disclosed
Send feedback