SCHEMBL22853391

SCHEMBL22853391

Cc1cc(F)cc(F)c1Nc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 3/20 0.52
▸ MPO P05164 3/20 0.51
▸ LIPC P11150 1/20 0.49
▸ LIPG Q9Y5X9 1/20 0.49
▸ AKR1C3 P42330 3/20 0.48
▸ AKR1C2 P52895 3/20 0.48
▸ SORT1 Q99523 5/20 0.45
▸ DHODH Q02127 1/20 0.45
▸ KDM1A O60341 1/20 0.44
▸ PLK1 P53350 1/20 0.44

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
SCHEMBL30294713 1.00 TAS2R14 (0.52) TAS2R14MPOLIPCLIPGAKR1C3
SCHEMBL22853381 0.88 CFTR (0.47) TAS2R14MPODHODH
SCHEMBL30294664 0.85 TAS2R14 (0.55) TAS2R14MPOLIPCLIPGAKR1C3
SCHEMBL22853095 0.84 TAS2R14 (0.53) TAS2R14MPOLIPCLIPGAKR1C3
SCHEMBL30294773 0.83 TAS2R14 (0.59) TAS2R14MPOAKR1C3AKR1C2SORT1
SCHEMBL22853132 0.83 TAS2R14 (0.59) TAS2R14MPOAKR1C3AKR1C2SORT1
SCHEMBL29383283 0.83 MPO (0.61) TAS2R14MPOLIPCLIPGAKR1C3
SCHEMBL22833319 0.83 MPO (0.61) TAS2R14MPOLIPCLIPGAKR1C3
SCHEMBL22852835 0.81 TAS2R14 (0.62) TAS2R14MPOLIPCLIPGAKR1C3
SCHEMBL30294708 0.81 TAS2R14 (0.62) TAS2R14MPOLIPCLIPGAKR1C3

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-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 — — WO disclosed
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