SCHEMBL23812952

SCHEMBL23812952

O=C(NC1CC(O)C1)c1cnc2cc(OC(F)F)c(F)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 19/20 0.55
▸ MAP4K4 O95819 1/20 0.38

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
SCHEMBL18987723 0.91 HPGDS (0.48) HPGDS
SCHEMBL19021507 0.91 HPGDS (0.48) HPGDS
SCHEMBL18987834 0.91 HPGDS (0.48) HPGDS
SCHEMBL23812973 0.91 HPGDS (0.48) HPGDS
SCHEMBL18987833 0.91 HPGDS (0.48) HPGDS
SCHEMBL18988534 0.88 HPGDS (0.54) HPGDS
SCHEMBL18988533 0.88 HPGDS (0.54) HPGDS
SCHEMBL23812949 0.88 HPGDS (0.55) HPGDS
SCHEMBL19021262 0.88 HPGDS (0.55) HPGDS
SCHEMBL19019773 0.87 HPGDS (0.55) 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
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 — — EP disclosed
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