SCHEMBL22853132

SCHEMBL22853132

Cc1cc(F)cc(C)c1Nc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 4/20 0.59
▸ CLCN2 P51788 1/20 0.50
▸ GRIK1 P39086 2/20 0.48
▸ SORT1 Q99523 4/20 0.47
▸ MPO P05164 3/20 0.47
▸ AKR1C3 P42330 2/20 0.47
▸ AKR1C2 P52895 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ACLY P53396 1/20 0.46
▸ AKR1B1 P15121 1/20 0.45
▸ AKR1C4 P17516 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL30294773 1.00 TAS2R14 (0.59) TAS2R14CLCN2GRIK1SORT1MPO
SCHEMBL22833402 0.85 TAS2R14 (0.61) TAS2R14CLCN2GRIK1MPOAKR1C3
SCHEMBL29380178 0.85 TAS2R14 (0.61) TAS2R14CLCN2GRIK1MPOAKR1C3
SCHEMBL22852772 0.84 KDM4E (0.44) TAS2R14KDM4ECYP2C19
SCHEMBL30294611 0.84 KDM4E (0.44) TAS2R14KDM4ECYP2C19
SCHEMBL22853391 0.83 TAS2R14 (0.52) TAS2R14SORT1MPOAKR1C3AKR1C2
SCHEMBL30294713 0.83 TAS2R14 (0.52) TAS2R14SORT1MPOAKR1C3AKR1C2
SCHEMBL22852832 0.79 MPO (0.58) TAS2R14GRIK1MPOAKR1C3AKR1C2
SCHEMBL30294413 0.79 MPO (0.58) TAS2R14GRIK1MPOAKR1C3AKR1C2
SCHEMBL14670349 0.77 TAS2R14 (0.68) TAS2R14GRIK1SORT1MPOAKR1C3

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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