SCHEMBL19728858

SCHEMBL19728858

Bc1c(F)c(F)c(C)c(F)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 12/20 0.36
▸ TAS1R1 Q7RTX1 11/20 0.36
▸ TAS1R2 Q8TE23 11/20 0.36
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL19728375 0.84 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6578763 0.84 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2470702 0.81 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2860749 0.79 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL545012 0.79 HCAR2 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL503607 0.79 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2921028 0.79 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL18774734 0.78 CYP1A2 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
Hydrochloric Acid SCHEMBL6740806 0.77 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL15910032 0.77 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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-2017217441-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF 湧永製薬株式会社 2017-12-21 — — WO disclosed
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