SCHEMBL22891783

SCHEMBL22891783

Cc1ccc(C(F)(F)F)cc1N[S+]([O-])c1cccc(C(=O)OCOC(=O)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRAF P15056 4/20 0.37
LMNA P02545 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HTR7 P34969 1/20 0.35
MGLL Q99685 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CSF1R P07333 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22891788 0.82 GPR35 (0.36) TAS2R14GAAMEN1KMT2ABRAF
SCHEMBL22891786 0.79 NPSR1 (0.49) GAAMEN1KMT2ALMNAHTT
SCHEMBL29669997 0.79 NPSR1 (0.49) GAAMEN1KMT2ALMNAHTT
SCHEMBL22891791 0.71 ADRB2 (0.34) HTR7NPC1RAB9AALDH1A1
SCHEMBL19354448 0.70 ADRB2 (0.53) KMT2ANPSR1NPC1RAB9A
SCHEMBL22891790 0.69 HTT (0.44) GAAMEN1KMT2AHTTNPSR1
SCHEMBL29670040 0.69 HTT (0.44) GAAMEN1KMT2AHTTNPSR1
SCHEMBL19321862 0.69 HTR7 (0.49) GAAMEN1KMT2ALMNAHTR7
SCHEMBL7433225 0.67 ADRB2 (0.54) LMNAHTR7CYP1A2CYP3A4NPC1
SCHEMBL25805521 0.66 DDR2 (0.58) TAS2R14GAALMNAMRGPRX4DDR2

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-2021007474-A1 PHENYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS CURA THERAPEUTICS, LLC (US) 2021-01-14 WO disclosed