SCHEMBL9683547

SCHEMBL9683547

Cc1ccccc1S(=O)(=O)N(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HCRTR2 O43614 1/20 0.46
PTPN1 P18031 1/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
GAA P10253 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.39
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38

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
SCHEMBL10692728 0.85 HCRTR2 (0.48) SMN1; SMN2HCRTR2PTPN1KMT2AMEN1
SCHEMBL9511076 0.85 SMN1; SMN2 (0.42) SMN1; SMN2HCRTR2PTPN1KMT2AMEN1
SCHEMBL3693999 0.84 TSHR (0.49) SMN1; SMN2HCRTR2PTPN1KMT2AMEN1
SCHEMBL7200353 0.84 ALDH1A1 (0.53) SMN1; SMN2HCRTR2PTPN1KMT2AMEN1
SCHEMBL6388216 0.82 PTPN1 (0.42) HCRTR2PTPN1KMT2AHTR2AHTR2C
SCHEMBL9307793 0.81 ALDH1A1 (0.47) HCRTR2PTPN1KMT2AMEN1TP53
SCHEMBL5505271 0.81 CA12 (0.48) SMN1; SMN2HCRTR2PTPN1KMT2AMEN1
SCHEMBL4103344 0.81 TDP1 (0.46) HCRTR2HPGDALDH1A1KDM4EGAA
SCHEMBL5507153 0.80 CA12 (0.47) SMN1; SMN2HCRTR2PTPN1KMT2AMEN1
SCHEMBL9001236 0.79 ALDH1A1 (0.54) SMN1; SMN2HCRTR2KMT2AMEN1TP53

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
US-5095044-A Odorless, discoloration inhibition CIBA-GEIGY CORPORATION (US) 1992-03-10 US disclosed
US-4950795-A PRINTING PLATES, PAPER COATING CIBA-GEIGY CORPORATION (US) 1990-08-21 US disclosed