Sugi Predict

Sugi Predict / Compounds / SCHEMBL29467129

SCHEMBL29467129

SCHEMBL29467129

Oc1cccc(-c2cc3cc4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c2[nH]3)C=C5)C=C4)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.54
▸ STAT1 P42224 1/20 0.54
▸ TOP1 P11387 3/20 0.40
▸ CYCS P99999 3/20 0.39
▸ ENPP2 Q13822 1/20 0.36
▸ TERT O14746 3/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34

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
SCHEMBL1640994 1.00 STAT3 (0.54) STAT3STAT1TOP1CYCSENPP2
SCHEMBL31276120 0.90 STAT3 (0.55) STAT3STAT1TOP1CYCSENPP2
SCHEMBL28311233 0.90 STAT3 (0.55) STAT3STAT1TOP1CYCSENPP2
SCHEMBL28024655 0.90 STAT3 (0.62) STAT3STAT1TOP1CYCSENPP2
SCHEMBL29904993 0.90 STAT3 (0.62) STAT3STAT1TOP1CYCSENPP2
SCHEMBL27847521 0.89 STAT3 (0.50) STAT3STAT1PTPN1
SCHEMBL27838897 0.89 STAT3 (0.61) STAT3STAT1TOP1CYCSENPP2
SCHEMBL27883624 0.89 STAT3 (0.61) STAT3STAT1TOP1CYCSENPP2
SCHEMBL18917420 0.87 STAT3 (0.54) STAT3STAT1TOP1CYCSENPP2
SCHEMBL29467136 0.87 STAT3 (0.54) STAT3STAT1TOP1CYCSENPP2

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-108779124-B Gold porphyrin-PEG conjugates and methods of use 香港大学 2022-03-01 — — CN disclosed
Send feedback