SCHEMBL3459223

SCHEMBL3459223

C1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3cccnc3-c3ccc4ccc5cccc6ccc3c4c56)c3ccc([nH]3)c2-c2ccncc2)C=C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.46
▸ IDO1 P14902 1/20 0.38
▸ TERT O14746 4/20 0.35
▸ CYCS P99999 3/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ MAPK14 Q16539 2/20 0.32
▸ MAPK13 O15264 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 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
SCHEMBL3459959 0.89 TOP1 (0.53) TOP1TERTCYCSENPP2
SCHEMBL13183881 0.81 TOP1 (0.47) TOP1TERTCYCSENPP2
SCHEMBL13183875 0.79 TERT (0.40) TOP1TERT
SCHEMBL224502 0.79 TERT (0.39) TOP1TERTCYCSENPP2
SCHEMBL28296392 0.78 TERT (0.38) TOP1TERTCYCSENPP2
Hydrochloric Acid SCHEMBL3459214 0.75 TERT (0.61) TOP1TERTCYCSENPP2
SCHEMBL19894167 0.72 TDP1 (0.41) —
SCHEMBL3459339 0.72 TOP1 (0.34) TOP1TERTCYCSENPP2
SCHEMBL245937 0.72 TOP1 (0.78) TOP1TERTCYCSENPP2
SCHEMBL29961137 0.72 TOP1 (0.78) 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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