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SCHEMBL19289582

SCHEMBL19289582

O=C1C=CC(=O)N1CCCCCCNc1c(F)c(F)c(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ MAP3K11 Q16584 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ TOP1 P11387 1/20 0.31
▸ CYCS P99999 3/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 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
SCHEMBL19289802 0.86 HSP90AA1 (0.36) DHODHENPP2MAPK14TOP1
SCHEMBL19854867 0.84 TERT (0.38) DHODHMAPK14TOP1CYCS
SCHEMBL19278967 0.83 DHODH (0.31) DHODH
SCHEMBL19296891 0.83 ABCG2 (0.37) DHODHENPP2TOP1CYCS
SCHEMBL19296902 0.81 DHODH (0.36) DHODHENPP2TOP1CYCS
SCHEMBL19278970 0.81 HSP90AA1 (0.36) DHODHENPP2MAPK14TOP1
SCHEMBL24221269 0.78 DHODH (0.38) DHODHTOP1CYCS
SCHEMBL17651811 0.78 TOP1 (0.43) DHODHENPP2TOP1CYCS
SCHEMBL17651778 0.78 TOP1 (0.43) DHODHENPP2TOP1CYCS
SCHEMBL19289803 0.78 HSP90AA1 (0.32) DHODHENPP2MAPK14

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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