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Sugi Predict / Compounds / SCHEMBL7794023

SCHEMBL7794023

SCHEMBL7794023

CC(=O)O[C@H]1[C@@H](F)[C@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)O[C@@H](C)[C@H]1NC(=O)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.64
▸ TOP2B Q02880 1/20 0.64
▸ TGM2 P21980 1/20 0.31
▸ P4HB P07237 1/20 0.30
▸ PDIA4 P13667 1/20 0.30
▸ PDIA3 P30101 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
SCHEMBL7794516 1.00 TOP2A (0.64) TOP2ATOP2BTGM2P4HBPDIA4
SCHEMBL7789932 0.94 TOP2A (0.64) TOP2ATOP2BTGM2P4HBPDIA4
SCHEMBL7789896 0.88 TOP2A (0.73) TOP2ATOP2BP4HBPDIA4PDIA3
SCHEMBL7784492 0.88 TOP2A (0.73) TOP2ATOP2BP4HBPDIA4PDIA3
SCHEMBL7789970 0.88 TOP2A (0.73) TOP2ATOP2BP4HBPDIA4PDIA3
SCHEMBL7790428 0.88 TOP2A (0.73) TOP2ATOP2BP4HBPDIA4PDIA3
SCHEMBL7784472 0.80 TOP2A (0.63) TOP2ATOP2BP4HBPDIA4PDIA3
SCHEMBL7789965 0.79 TOP2A (0.69) TOP2ATOP2B
SCHEMBL7794495 0.78 TOP2A (1.00) TOP2ATOP2B
SCHEMBL7790424 0.78 TOP2A (1.00) TOP2ATOP2B

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-1156056-A1 5-GLYCOSYLOXY-6-HYDROXYNAPHTHO 2,3-f]QUINOLINE-7,12-DIONE HAVING ANTICANCER ACTIVITIES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 2001-11-21 — — EP disclosed