Trifluoromethylbenzene

Trifluoromethylbenzene

SCHEMBL9765749

FC(F)(F)c1ccccc1.Nc1ccccc1SCCC(=O)O

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ FGB P02675 1/20 0.45
▸ KIF11 P52732 2/20 0.42
▸ PTGS1 P23219 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAP2K7 O14733 2/20 0.38
▸ CDC25A P30304 2/20 0.38
▸ CDC25B P30305 2/20 0.38
▸ PRNP P04156 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CYSLTR2 Q9NS75 2/20 0.38

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
SCHEMBL9701297 0.87 MEN1 (0.54) POLBMEN1KMT2AFGBALDH1A1
SCHEMBL29515337 0.78 ALDH1A1 (0.45) POLBMEN1KMT2AFGBALDH1A1
SCHEMBL24188895 0.78 ALDH1A1 (0.45) POLBMEN1KMT2AFGBALDH1A1
Succinic Acid SCHEMBL11703500 0.76 POLB (0.46) POLBMEN1KMT2AFGBKIF11
SCHEMBL11605828 0.74 ALDH1A1 (0.49) ALDH1A1CYP2C19CYSLTR2CYSLTR1
SCHEMBL12276383 0.73 KDM4E (0.55) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL5143206 0.73 ALDH1A1 (0.49) POLBMEN1KMT2AFGBALDH1A1
SCHEMBL29514990 0.73 ALDH1A1 (0.49) POLBMEN1KMT2AFGBALDH1A1
SCHEMBL10745713 0.71 FKBP1A (0.54) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL29102676 0.71 ALDH1A1 (0.51) POLBMEN1KMT2AFGBALDH1A1

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
US-5063225-A Antiarrhythmia ROUSSEL UCLAF (FR) 1991-11-05 — — US disclosed
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