SCHEMBL19649588

SCHEMBL19649588

C[S+]([O-])Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.53
▸ HTR2B P41595 2/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.51
▸ IDO1 P14902 2/20 0.50
▸ MIF P14174 2/20 0.47
▸ ACP3 P15309 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL13336029 0.84 ACHE (0.39) HTR2AHTR2BHTR2CTAAR1
SCHEMBL14259218 0.81 HTR2A (0.33) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL21028524 0.78 ACP3 (0.47) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL13362473 0.77 TP53 (0.41) IDO1MAPTSIGMAR1LMNAKDM4E
SCHEMBL46757 0.77 HTR2A (0.63) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL776678 0.76 TAAR1 (0.47) TAAR1IDO1MIFMEN1KMT2A
Ammonia Solution, Strong SCHEMBL266843 0.75 HTR2A (0.61) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL9626024 0.74 TAAR1 (0.44) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL5103155 0.74 TAAR1 (0.64) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL3237564 0.74 TAAR1 (0.64) HTR2AHTR2BHTR2CTAAR1IDO1

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
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 — — EP disclosed
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