Sugi Predict

Sugi Predict / Compounds / SCHEMBL4256404

SCHEMBL4256404

SCHEMBL4256404

Oc1c(Br)cc(Br)c(-c2c3nc(c(-c4c(Br)cc(Br)c(O)c4Br)c4ccc([nH]4)c(-c4c(Br)cc(Br)c(O)c4Br)c4nc(c(-c5c(Br)cc(Br)c(O)c5Br)c5ccc2[nH]5)C=C4)C=C3)c1Br

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.41
▸ CYCS P99999 3/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ TERT O14746 3/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL4263019 0.78 TERT (0.39) TOP1CYCSTERT
SCHEMBL30216888 0.73 TERT (0.43) TOP1CYCSENPP2TERT
SCHEMBL30831234 0.73 TOP1 (0.46) TOP1CYCSENPP2TERT
SCHEMBL30644758 0.72 TERT (0.41) TOP1CYCSENPP2TERT
SCHEMBL4266180 0.72 TOP1 (0.41) TOP1CYCSENPP2TERT
SCHEMBL30382874 0.71 TERT (0.51) TOP1CYCSENPP2TERT
SCHEMBL29417362 0.71 TOP1 (0.54) TOP1CYCSENPP2TERT
SCHEMBL17442979 0.71 TERT (0.51) TOP1CYCSENPP2TERT
SCHEMBL1716166 0.71 TOP1 (0.54) TOP1CYCSENPP2TERT
SCHEMBL29441531 0.71 TOP1 (0.54) TOP1CYCSENPP2TERT

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
EP-1472259-B1 TETRAPYRROLIC MACROCYCLES AS PHOTODYNAMIC AGENTS CIPAN COMP IND PROD (PT) 2009-09-02 — — EP claimed
EP-1472259-B1 TETRAPYRROLIC MACROCYCLES AS PHOTODYNAMIC AGENTS CIPAN COMP IND PROD (PT) 2009-09-02 — — EP disclosed
Send feedback