SCHEMBL19021424

SCHEMBL19021424

O=C(N[C@@H]1CC[C@@H]([C@@H](O)C(F)(F)F)OC1)c1cnc2cc(OC(F)F)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 20/20 0.65

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
SCHEMBL18987776 1.00 HPGDS (0.65) HPGDS
SCHEMBL23812867 1.00 HPGDS (0.65) HPGDS
SCHEMBL18987585 1.00 HPGDS (0.65) HPGDS
SCHEMBL23731354 0.90 HPGDS (0.66) HPGDS
SCHEMBL18988077 0.86 HPGDS (0.73) HPGDS
SCHEMBL23812909 0.86 HPGDS (0.73) HPGDS
SCHEMBL23731054 0.86 HPGDS (0.73) HPGDS
SCHEMBL18987481 0.86 HPGDS (0.73) HPGDS
SCHEMBL18987387 0.86 HPGDS (0.73) HPGDS
SCHEMBL18987385 0.86 HPGDS (0.73) HPGDS

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
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 — — WO disclosed
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