SCHEMBL7824876

SCHEMBL7824876

Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.58
METAP2 P50579 4/20 0.54
GAA P10253 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
FFAR4 Q5NUL3 1/20 0.51
CCR9 P51686 1/20 0.51
CCR2 P41597 2/20 0.50
MCL1 Q07820 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
HTT P42858 1/20 0.49
CYP2C19 P33261 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
SCHEMBL7552241 0.80 TSHR (0.50) ACLYMEN1KMT2ALMNACCR9
SCHEMBL15779688 0.80 ALDH1A1 (0.59) GAAMEN1KMT2ALMNAFFAR4
SCHEMBL12200963 0.80 ACLY (0.78) ACLYMETAP2MEN1KMT2ALMNA
SCHEMBL28930113 0.78 METAP2 (0.62) ACLYMETAP2GAAMEN1KMT2A
SCHEMBL1688339 0.78 METAP2 (0.71) METAP2MEN1KMT2ALMNAFFAR4
SCHEMBL22318985 0.77 GPR27 (0.54) GAAMEN1KMT2ALMNA
SCHEMBL5326630 0.76 ACLY (0.72) ACLYMETAP2GAAMEN1KMT2A
SCHEMBL5839080 0.75 AR (0.57) METAP2MEN1KMT2ALMNAFFAR4
SCHEMBL9864681 0.75 METAP2 (0.58) ACLYMETAP2MEN1KMT2AMCL1
SCHEMBL7308406 0.74 TSHR (0.59) ACLYMEN1KMT2ALMNACYP2C9

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed