Sugi Predict

Sugi Predict / Compounds / SCHEMBL16552258

SCHEMBL16552258

SCHEMBL16552258

CNc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5[nH]c2C(N)(N)C5(N)N)C=C4)C=C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.44
▸ CYCS P99999 4/20 0.43
▸ TERT O14746 4/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40

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
SCHEMBL16552330 0.89 TOP1 (0.54) TOP1CYCSTERTSTAT3STAT1
SCHEMBL6394334 0.83 TERT (0.57) TOP1CYCSTERTABCG2ENPP2
SCHEMBL16552259 0.81 TOP1 (0.57) TOP1CYCSTERTSTAT3STAT1
SCHEMBL16923754 0.81 TOP1 (0.46) TOP1CYCSTERTSTAT3STAT1
SCHEMBL16923752 0.81 TOP1 (0.46) TOP1CYCSTERTSTAT3STAT1
Dimethylamine SCHEMBL21174852 0.79 TERT (0.58) TOP1CYCSTERTSTAT3STAT1
SCHEMBL27674814 0.78 TOP1 (0.54) TOP1CYCSTERTSTAT3STAT1
SCHEMBL29405434 0.76 TOP1 (0.64) TOP1CYCSTERTSTAT3STAT1
SCHEMBL30136 0.76 TOP1 (0.64) TOP1CYCSTERTSTAT3STAT1
SCHEMBL5013660 0.75 TOP1 (0.56) TOP1CYCSTERTSTAT3STAT1

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
WO-2015028575-A1 IMMUNISATION METHOD BY PHOTOCHEMICAL INTERNALISATION PCI BIOTECH AS (NO) 2015-03-05 — — WO disclosed
WO-2015028574-A1 COMPOUND AND METHOD FOR VACCINATION AND IMMUNISATION PCI BIOTECH AS (NO) 2015-03-05 — — WO disclosed
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