SCHEMBL3459339

SCHEMBL3459339

Brc1cncc(-c2c3nc(c(-c4cncc(Br)c4)c4ccc([nH]4)c(-c4ccc5ccc6cccc7ccc4c5c67)c4nc(c(-c5cncc(Br)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.34
▸ TERT O14746 4/20 0.34
▸ CYCS P99999 3/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32

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
SCHEMBL224502 0.83 TERT (0.39) TOP1TERTCYCSENPP2
SCHEMBL13183875 0.83 TERT (0.40) TOP1TERT
SCHEMBL13183881 0.83 TOP1 (0.47) TOP1TERTCYCSENPP2STAT3
SCHEMBL28296392 0.82 TERT (0.38) TOP1TERTCYCSENPP2
SCHEMBL8182077 0.82 TOP1 (0.47) TOP1TERTCYCSENPP2STAT3
SCHEMBL3459959 0.82 TOP1 (0.53) TOP1TERTCYCSENPP2STAT3
SCHEMBL15188824 0.76 TOP1 (0.58) TOP1TERTCYCSENPP2STAT3
SCHEMBL3460026 0.76 TOP1 (0.58) TOP1TERTCYCSENPP2STAT3
SCHEMBL3459563 0.76 TOP1 (0.58) TOP1TERTCYCSENPP2STAT3
Hydrochloric Acid SCHEMBL3459214 0.75 TERT (0.61) TOP1TERTCYCSENPP2

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-2230242-B1 Synthesis of new asymmetrically meso-substituted water-soluble porphyrins acting as cytostatic agents JOHANNES KEPLER UNI (AT) 2013-08-14 — — EP disclosed
EP-2230242-A1 Synthesis of new asymmetrically meso-substituted water-soluble porphyrins acting as cytostatic agents Johannes Kepler Universität (AT) 2010-09-22 — — EP disclosed
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