SCHEMBL20459459

SCHEMBL20459459

OBc1ccc(Cl)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ CYP3A4 P08684 4/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSPD1 P10809 1/20 0.42
▸ HSPA5 P11021 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HSPE1 P61604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15933225 0.82 MAPT (0.41) MAPTCYP3A4HIF1AMEN1HPGD
SCHEMBL22942635 0.82 MAPT (0.41) MAPTCYP3A4HIF1AMEN1HPGD
SCHEMBL16683593 0.78 CYP1A2 (0.37) MAPTCYP3A4HIF1AMEN1HPGD
SCHEMBL21886001 0.77 EGFR (0.37) MAPTHSD17B10TSHRALDH1A1RECQL
SCHEMBL14748441 0.77 TYR (0.37) HSD17B10
SCHEMBL15702942 0.75 PTGDR2 (0.46) MAPTCYP3A4HIF1AMEN1HPGD
SCHEMBL15702941 0.75 CA3 (0.32) IDO1SLC6A4HSD17B10MAPK1
SCHEMBL29493203 0.75 IDO1 (0.50) MAPTCYP3A4HIF1AMEN1HPGD
SCHEMBL1154758 0.75 IDO1 (0.50) MAPTCYP3A4HIF1AMEN1HPGD
SCHEMBL17752328 0.75 MAPT (0.58) MAPTCYP3A4HIF1AMEN1HPGD

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-2987796-B1 HALOGEN-SUBSTITUTED BORONOPHTHALIDES FOR THE TREATMENT OF INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2018-08-08 — — EP disclosed
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