Sugi Predict

Sugi Predict / Compounds / SCHEMBL7789889

SCHEMBL7789889

SCHEMBL7789889

C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H](O)[C@@H](F)[C@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)O[C@H]1C

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.65
▸ TOP2B Q02880 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL7784501 0.95 TOP2A (0.66) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7794490 0.86 TOP2A (0.75) TOP2ATOP2BKDM4EALDH1A1HTT
SCHEMBL7793233 0.81 TOP2A (0.75) TOP2ATOP2BKDM4EALDH1A1HTT
SCHEMBL7793975 0.80 TOP2A (1.00) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7793174 0.80 TOP2A (1.00) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7790424 0.80 TOP2A (1.00) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7789965 0.80 TOP2A (0.69) TOP2ATOP2B
SCHEMBL7784492 0.78 TOP2A (0.73) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7784478 0.76 TOP2A (0.76) TOP2ATOP2BKDM4EALDH1A1HTT
SCHEMBL7790425 0.76 TOP2A (0.71) TOP2ATOP2BKDM4E

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