SCHEMBL9700547

SCHEMBL9700547

O=C(O)c1ccc(C(F)(F)F)nc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.45
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4B Q07343 2/20 0.40
ACLY P53396 1/20 0.39
LMNA P02545 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3878183 0.84 TUBB4A (0.50) TAS2R14NPSR1PDE4BACLYLMNA
SCHEMBL26732612 0.84 TAS2R14 (0.40) TAS2R14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL167782 0.83 KDM4E (0.47) TAS2R14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4480620 0.82 TAS2R14 (0.46) TAS2R14KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL15880328 0.81 KDM4E (0.46) TAS2R14KDM4EALDH1A1HPGDHSD17B10
Nitrous Acid SCHEMBL27942685 0.81 TAS2R14 (0.43) TAS2R14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24868103 0.81 TAS2R14 (0.45) TAS2R14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30546054 0.81 TAS2R14 (0.39) TAS2R14KDM4EALDH1A1MAPTHPGD
SCHEMBL22235111 0.81 LMNA (0.39) TAS2R14ALDH1A1MAPTPDE4BLMNA
SCHEMBL6376901 0.81 TAS2R14 (0.45) TAS2R14KDM4EALDH1A1HPGDHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166060-A Prepared by the action of 2,3-dihydroxybenzoate-3,4-dioxygenase on 2,3-dihydroxybenzoic acid CELGENE CORPORATION (US) 1992-11-24 US disclosed
EP-0390102-A2 Process for the preparation of pyridine-2,3-dicarboxylic acids CELGENE CORPORATION (US) 1990-10-03 EP disclosed
US-4923504-A 2-(2-Imidazolin-2-yl)pyridines and quinolines, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1990-05-08 US disclosed
US-4798619-A 2-(2-imidazolin-2-yl)-pyridines and quinolines and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1989-01-17 US disclosed
US-4638068-A 2-(2-imidazolin-2-yl)-pyridines and quinolines, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-01-20 US disclosed