SCHEMBL15580416

SCHEMBL15580416

C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5ccc(NC(N)=S)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.65
▸ TOP1 P11387 4/20 0.44
▸ CYCS P99999 3/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 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
Tmpyp4 SCHEMBL265519 0.82 TERT (0.97) TERTTOP1CYCSABCG2ENPP2
Tmpyp4 SCHEMBL29369473 0.80 TERT (1.00) TERTTOP1CYCSABCG2ENPP2
Tmpyp4 SCHEMBL20380171 0.80 TERT (0.93) TERTTOP1CYCSABCG2ENPP2
SCHEMBL15580415 0.79 TERT (0.80) TERTTOP1CYCSABCG2ENPP2
SCHEMBL22461492 0.79 TERT (0.58) TERTTOP1CYCSABCG2ENPP2
SCHEMBL22461491 0.79 TERT (0.58) TERTTOP1CYCSABCG2ENPP2
SCHEMBL22461493 0.79 TERT (0.58) TERTTOP1CYCSABCG2ENPP2
SCHEMBL18016429 0.78 TERT (0.82) TERTTOP1CYCSABCG2ENPP2
SCHEMBL12239740 0.78 TERT (0.51) TERTTOP1CYCSABCG2ALDH1A1
SCHEMBL18812590 0.77 TOP1 (0.52) TERTTOP1CYCSABCG2ENPP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346875-B1 METALLOPORPHYRIN DERIVATIVES, NANOPARTICLES COMPRISING THE SAME, AND USE THEREOF FOR PHOTODYNAMIC THERAPY CENTRE NAT RECH SCIENT (FR) 2014-03-19 — — EP disclosed
Send feedback