SCHEMBL29573158

SCHEMBL29573158

NNc1ccccc1C(F)(F)F

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.95
ALDH1A1 P00352 2/20 0.95
TDP1 Q9NUW8 2/20 0.95
L3MBTL1 Q9Y468 1/20 0.95
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
IDO1 P14902 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 3/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL358811 1.00 POLB (0.95) POLBALDH1A1TDP1L3MBTL1GRIN2D
Hydrochloric Acid SCHEMBL31013084 0.98 POLB (1.00) POLBALDH1A1TDP1L3MBTL1GRIN2D
Bromide SCHEMBL20984100 0.98 POLB (0.91) POLBALDH1A1TDP1L3MBTL1GRIN2D
Hydrochloric Acid SCHEMBL1408149 0.98 POLB (1.00) POLBALDH1A1TDP1L3MBTL1GRIN2D
Methyl Alcohol SCHEMBL28589868 0.94 ALDH1A1 (0.84) POLBALDH1A1TDP1L3MBTL1GRIN2D
Phosphoric Acid SCHEMBL20984218 0.88 POLB (0.75) POLBALDH1A1TDP1L3MBTL1GRIN2D
Oxalic Acid SCHEMBL20984131 0.88 POLB (0.75) POLBALDH1A1TDP1L3MBTL1MEN1
Sulfuric Acid SCHEMBL20984884 0.88 POLB (0.75) POLBALDH1A1TDP1L3MBTL1GRIN2D
Nitric Acid SCHEMBL20984720 0.85 POLB (0.70) POLBALDH1A1TDP1L3MBTL1GRIN2D
SCHEMBL2746683 0.83 ALDH1A1 (0.68) POLBALDH1A1TDP1L3MBTL1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4442318-A2 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2024-10-09 EP disclosed
CN-111278821-B Spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-10-03 CN disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed