SCHEMBL24865610

SCHEMBL24865610

CN(CC(F)(F)F)c1ccc(Nc2ccc3c(c2)OCC(=O)N3C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
IDH1 O75874 1/20 0.41
RORC P51449 1/20 0.40
HTR1A P08908 4/20 0.39
HTR2C P28335 3/20 0.39
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
SYK P43405 1/20 0.38
GRM4 Q14833 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GABRA1 P14867 1/20 0.34
ALOX5 P09917 1/20 0.34
CMA1 P23946 1/20 0.34
KIF11 P52732 1/20 0.33

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
SCHEMBL30336570 0.81 GABRA5 (0.48) GABRA5GABRG2GABRB3IDH1HTR1A
SCHEMBL24865184 0.81 GABRA5 (0.48) GABRA5GABRG2GABRB3IDH1HTR1A
SCHEMBL30336271 0.77 GABRG2 (0.46) GABRA5GABRG2GABRB3IDH1HTR1A
SCHEMBL24865349 0.77 GABRG2 (0.46) GABRA5GABRG2GABRB3IDH1HTR1A
SCHEMBL24865360 0.76 GABRA5 (0.46) GABRA5GABRG2GABRB3IDH1HTR1A
SCHEMBL31123189 0.75 GABRG2 (0.44) GABRA5GABRG2GABRB3IDH1HTR1A
SCHEMBL31123345 0.75 GABRA5 (0.44) GABRA5GABRG2GABRB3IDH1HTR1A
SCHEMBL24864807 0.75 GABRA5 (0.44) GABRA5GABRG2GABRB3IDH1HTR1A
SCHEMBL24865342 0.75 GABRG2 (0.44) GABRA5GABRG2GABRB3IDH1HTR1A
SCHEMBL24865743 0.73 HTR1A (0.47) GABRA5GABRG2GABRB3IDH1HTR1A

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-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed