SCHEMBL10439857

SCHEMBL10439857

OCc1cccc(Nc2c(Cl)cccc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.56
▸ TOP2B Q02880 1/20 0.56
▸ ABL1 P00519 3/20 0.47
▸ SYK P43405 1/20 0.44
▸ FLT1 P17948 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ NHERF1 O14745 2/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40

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
SCHEMBL10439645 0.82 RAPGEF4 (0.42) TOP2ATOP2BABL1RAPGEF4ALDH1A1
SCHEMBL10439813 0.81 HDAC6 (0.42) TOP2ATOP2BMAP2K4
SCHEMBL1425327 0.80 PTGS2 (0.54) —
SCHEMBL10439650 0.79 RAPGEF4 (0.41) TOP2ATOP2BABL1RAPGEF4ALDH1A1
SCHEMBL11232384 0.79 TOP2A (0.49) TOP2ATOP2BABL1SYKFLT1
SCHEMBL10439609 0.78 NPC1 (0.43) TOP2ATOP2BABL1RAPGEF4ENPP2
SCHEMBL10439648 0.78 RAPGEF4 (0.40) TOP2ATOP2BABL1RAPGEF4ALDH1A1
SCHEMBL1520754 0.77 TOP2A (0.63) TOP2ATOP2BSYKFLT1FLT4
SCHEMBL2121710 0.75 NFKB1 (0.59) TOP2ATOP2BABL1SYKFLT1
SCHEMBL4786132 0.73 TTR (0.60) ALDH1A1

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-0377896-A2 Cyclooxygenase and 5-lipoxygenase inhibiting hydroxamic acid derivatives CIBA-GEIGY AG (CH) 1990-07-18 — — EP disclosed
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