SCHEMBL9800657

SCHEMBL9800657

O=S(=O)(Nc1ccc(Oc2ccc3ncccc3c2)cc1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.62
FFAR1 O14842 1/20 0.62
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
PIK3CA P42336 1/20 0.53
PLA2G7 Q13093 1/20 0.52
PGR P06401 3/20 0.51
CACNA1H O95180 2/20 0.51
CACNA1B Q00975 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 1/20 0.50
AR P10275 1/20 0.50
CYP3A4 P08684 1/20 0.50
PPARG P37231 1/20 0.50
CKS1B P61024 1/20 0.49
SKP2 Q13309 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL10654161 0.92 GAA (0.60) FFAR4FFAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL9446964 0.91 FFAR4 (0.62) FFAR4FFAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL9446946 0.89 PGR (0.62) ALDH1A1LMNASMN1; SMN2PLA2G7PGR
SCHEMBL6978003 0.87 ALDH1A1 (0.76) ALDH1A1LMNASMN1; SMN2PIK3CAHTT
SCHEMBL10650851 0.84 PIK3CA (0.57) ALDH1A1LMNASMN1; SMN2PIK3CACACNA1H
SCHEMBL9447018 0.82 PGR (0.67) ALDH1A1LMNASMN1; SMN2PGRTSHR
SCHEMBL10655458 0.81 AR (0.55) ALDH1A1LMNASMN1; SMN2PIK3CACACNA1H
SCHEMBL9447008 0.81 GLO1 (0.62) FFAR4FFAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL9447120 0.80 PGR (0.62) ALDH1A1LMNASMN1; SMN2PLA2G7PGR
SCHEMBL9800765 0.78 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2PLA2G7PGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed