SCHEMBL31435397

SCHEMBL31435397

COc1ccc(CCl)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.49
S1PR1 P21453 1/20 0.45
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
CA2 P00918 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
IDO1 P14902 2/20 0.40
NR3C1 P04150 3/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
GSK3B P49841 1/20 0.39
PDE5A O76074 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
SCHEMBL2023009 1.00 TTR (0.49) TTRS1PR1HTR2AHTR2CCA2
SCHEMBL5363300 0.86 TTR (0.49) TTRHTR2AHTR2CCA2MEN1
SCHEMBL12013165 0.84 S1PR1 (0.46) S1PR1HTR2AHTR2CCA2PTGDR2
SCHEMBL11991665 0.83 RXRA (0.40) TTRS1PR1PTGDR2IDO1
SCHEMBL12509025 0.83 PTGDR2 (0.47) S1PR1HTR2AHTR2CCA2PTGDR2
SCHEMBL20560237 0.83 RXRA (0.55) S1PR1HTR2AIDO1AR
SCHEMBL13461851 0.82 S1PR1 (0.45) S1PR1HTR2AHTR2CCA2PTGDR2
SCHEMBL31435356 0.82 S1PR1 (0.58) S1PR1HTR2AHTR2CCA2PTGDR2
SCHEMBL1437536 0.82 S1PR1 (0.58) S1PR1HTR2AHTR2CCA2PTGDR2
SCHEMBL29783248 0.82 S1PR1 (0.45) S1PR1HTR2AHTR2CCA2PTGDR2

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-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed