SCHEMBL8907747

SCHEMBL8907747

COC(=O)Cc1cccc(C2=C3C=CC(=N3)C(c3cccc(CC(=O)OC)c3)=C3C=CC(=N3)C(c3cccc(CC(=O)OC)c3)=C3C=CC(=N3)C(c3cccc(CC(=O)OC)c3)=C3C=CC2=N3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CFD P00746 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPT P10636 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
SCHEMBL4260955 0.76 CYP2C9 (0.36) NPC1SMN1; SMN2GFER
SCHEMBL1929079 0.75 SLC7A5 (0.57) SLC7A5NPC1HPGDSYKPKM
SCHEMBL12400239 0.74 SLC7A5 (0.68) SLC7A5NPC1HPGDPKMNFKB1
SCHEMBL3357160 0.74 SLC7A5 (0.56) SLC7A5NPC1HPGDSYKPKM
SCHEMBL7031797 0.74 SLC7A5 (0.52) SLC7A5NPC1HPGDSYKPKM
SCHEMBL4266275 0.74 FOLH1 (0.35) —
SCHEMBL3930520 0.73 PRKCI (0.57) SLC7A5NPC1HPGDSYKPKM
SCHEMBL13791195 0.73 HSP90AB1 (0.54) SLC7A5NPC1HPGDSYKPKM
SCHEMBL3361035 0.72 SLC7A5 (0.54) SLC7A5NPC1HPGDSYKPKM
SCHEMBL14759025 0.72 CYP11B1 (0.54) SLC7A5NPC1HPGDSYKPKM

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-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP disclosed
WO-1994019352-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-09-01 — — WO disclosed
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