Sugi Predict

Sugi Predict / Compounds / SCHEMBL31310006

SCHEMBL31310006

SCHEMBL31310006

NCCSSCCNc1c(F)c(F)c(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.33
▸ TERT O14746 3/20 0.32
▸ TOP1 P11387 1/20 0.32
▸ CYCS P99999 3/20 0.31
▸ LCK P06239 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31

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
SCHEMBL19278958 1.00 DHODH (0.33) DHODHTERTTOP1CYCSLCK
SCHEMBL19278960 0.99 DHODH (0.33) DHODHTERTTOP1CYCSLCK
SCHEMBL19289537 0.92 DHODH (0.31) DHODH
SCHEMBL19293923 0.92 DHODH (0.35) DHODHTERTTOP1CYCS
SCHEMBL19289802 0.88 HSP90AA1 (0.36) DHODHTERTTOP1MAPK14ENPP2
SCHEMBL19296931 0.87 ABCG2 (0.36) DHODHTOP1CYCS
SCHEMBL19289551 0.86 DHODH (0.33) DHODHTOP1CYCS
SCHEMBL19289845 0.86 DHODH (0.30) DHODH
SCHEMBL19296902 0.85 DHODH (0.36) DHODHTERTTOP1CYCSENPP2
SCHEMBL19854867 0.84 TERT (0.38) DHODHTERTTOP1CYCSMAPK14

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
EP-3210626-B1 CONJUGATES OF PORPHYRINOID PHOTOSENSITIZERS AND GLYCEROL-BASED POLYMERS FOR PHOTODYNAMIC THERAPY BIOLITEC HOLDING GMBH & CO KG (AT) 2024-11-27 — — EP disclosed
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