SCHEMBL19289803

SCHEMBL19289803

NCCCCNc1c(F)c(F)c(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5[nH]c2CC5)C=C4)C=C3)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ ENPP2 Q13822 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL19289802 0.91 HSP90AA1 (0.36) HSP90AA1HSP90AB1DHODHENPP2MAPK14
SCHEMBL19278970 0.87 HSP90AA1 (0.36) HSP90AA1HSP90AB1DHODHENPP2MAPK14
SCHEMBL19854867 0.82 TERT (0.38) DHODHMAPK14
SCHEMBL31310006 0.81 DHODH (0.33) DHODHENPP2MAPK14
SCHEMBL19278958 0.81 DHODH (0.33) DHODHENPP2MAPK14
SCHEMBL19278960 0.80 DHODH (0.33) DHODHENPP2MAPK14
SCHEMBL5100886 0.80 TOP1 (0.43) ENPP2
SCHEMBL19296902 0.80 DHODH (0.36) DHODHENPP2
SCHEMBL19289582 0.78 DHODH (0.33) DHODHENPP2MAPK14
SCHEMBL19296891 0.78 ABCG2 (0.37) DHODHENPP2

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-3210626-A1 CONJUGATES OF PORPHYRINOID PHOTOSENSITIZERS AND GLYCEROL-BASED POLYMERS FOR PHOTODYNAMIC THERAPY biolitec Unternehmensbeteiligungs II AG (AT) 2017-08-30 — — EP disclosed
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