SCHEMBL13183875

SCHEMBL13183875

C1=Cc2nc1c(-c1cccnc1)c1ccc([nH]1)c(-c1cccnc1)c1nc(c(-c3ccc4ccc5cccc6ccc3c4c56)c3ccc([nH]3)c2-c2cccnc2)C=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TOP1 P11387 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ WEE1 P30291 1/20 0.36

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 0.87 TOP1 (0.53) TERTTOP1
SCHEMBL224502 0.86 TERT (0.39) TERTALDH1A1HPGDTOP1CYP3A4
SCHEMBL28296392 0.85 TERT (0.38) TERTALDH1A1HPGDTOP1CYP3A4
SCHEMBL24186971 0.84 CYP11B1 (0.50) CYP11B1CYP11B2KDM4EMEN1NPC1
SCHEMBL3459339 0.83 TOP1 (0.34) TERTTOP1
SCHEMBL185112 0.82 TERT (0.54) TERTKDM4EALDH1A1TOP1CYP19A1
SCHEMBL29501072 0.82 TERT (0.54) TERTKDM4EALDH1A1TOP1CYP19A1
SCHEMBL13183881 0.81 TOP1 (0.47) TERTTOP1
SCHEMBL30385992 0.81 TERT (0.52) TERTKDM4EALDH1A1TOP1CYP19A1
SCHEMBL21808804 0.81 TERT (0.52) TERTKDM4EALDH1A1TOP1CYP19A1

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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