Sugi Predict

Sugi Predict / Compounds / SCHEMBL28355568

SCHEMBL28355568

SCHEMBL28355568

BrCCOc1ccc(-c2c3nc(c(-c4ccc(OCCBr)cc4)c4ccc([nH]4)c(-c4ccc(OCCBr)cc4)c4nc(c(-c5ccc(OCCBr)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.49
▸ CYCS P99999 3/20 0.48
▸ ENPP2 Q13822 1/20 0.47
▸ TERT O14746 4/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL14181444 0.87 MAPT (0.46) TOP1CYCSENPP2TERTABCG2
SCHEMBL14350959 0.87 ABCG2 (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL588821 0.85 TERT (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL585218 0.85 TERT (0.44) TOP1CYCSENPP2TERTABCG2
SCHEMBL30739549 0.83 TOP1 (0.42) TOP1CYCSENPP2TERTABCG2
SCHEMBL29454950 0.82 TERT (0.55) TOP1CYCSENPP2TERTABCG2
SCHEMBL12190732 0.82 TERT (0.49) TOP1CYCSENPP2TERTABCG2
SCHEMBL8031578 0.82 TERT (0.49) TOP1CYCSENPP2TERTABCG2
SCHEMBL2531376 0.82 TERT (0.49) TOP1CYCSENPP2TERTABCG2
SCHEMBL12057399 0.81 ENPP2 (0.46) TOP1CYCSENPP2TERTABCG2

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-110642865-B Application of high-charge cationic porphyrin in preparation of PDT nano photosensitizer 天津大学 2021-12-07 — — CN disclosed
CN-110642865-A Application of high-charge cationic porphyrin in preparation of PDT nano photosensitizer 天津大学 2020-01-03 — — CN disclosed
Send feedback