SCHEMBL23812948

SCHEMBL23812948

NC(=O)c1cnc2cc(OC(F)F)c(F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.46
GRIN2B Q13224 5/20 0.36
PSMD14 O00487 1/20 0.35
STAMBP O95630 1/20 0.35
COPS5 Q92905 1/20 0.35
TNF P01375 1/20 0.34
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
KCNH2 Q12809 2/20 0.33
PTPN11 Q06124 1/20 0.33
TNIK Q9UKE5 1/20 0.32
GRM2 Q14416 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
SCHEMBL18988140 0.88 MGAM (0.44) HPGDSGRIN2BPSMD14PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL18987700 0.86 MGAM (0.43) HPGDSGRIN2BPSMD14PDGFRBPDGFRA
SCHEMBL19021109 0.85 HPGDS (0.45) HPGDSGRIN2BPSMD14STAMBPCOPS5
SCHEMBL19020880 0.83 HPGDS (0.50) HPGDSGRIN2BPSMD14STAMBPCOPS5
SCHEMBL19020876 0.83 HPGDS (0.46) HPGDSPSMD14STAMBPCOPS5PDGFRB
SCHEMBL7081027 0.81 HPGDS (0.53) HPGDSPSMD14STAMBPCOPS5PDGFRB
SCHEMBL18987834 0.78 HPGDS (0.48) HPGDS
SCHEMBL18987833 0.78 HPGDS (0.48) HPGDS
SCHEMBL19021507 0.78 HPGDS (0.48) HPGDS
SCHEMBL3873425 0.78 HPGDS (0.58) HPGDSPDGFRBPDGFRA

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