SCHEMBL27515368

SCHEMBL27515368

O=CC(=O)c1c2cc3ccccc3cc2cc2c(O)c(O)c(O)c(O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MCL1 Q07820 2/20 0.33
▸ BCL2 P10415 1/20 0.33
▸ BAD Q92934 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL28025152 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL5427708 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27452198 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27725396 0.82 PTPN22 (0.39) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27704794 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27304277 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27780588 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL28037612 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL8895371 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27661280 0.71 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2AHPGD

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
CN-1154701-A 8-fluoro-anthracyclines, process for their preparation and pharmaceutical compositions containing them MENARINI FARMA IND (IT) 1997-07-16 — — CN disclosed
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