SCHEMBL7824941

SCHEMBL7824941

COc1ccc(C(=O)OS(=O)(=O)c2ccc(S(=O)(=O)O)c(N)c2)cc1N.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 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
SCHEMBL7824934 0.83 PKM (0.51) ALDH1A1LMNAHTTL3MBTL1F2
SCHEMBL7824943 0.82 PKM (0.52) ALDH1A1LMNAHTTL3MBTL1F2
SCHEMBL7824939 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHTTL3MBTL1F2
SCHEMBL9817020 0.75 CA1 (0.66) ALDH1A1LMNAHTTL3MBTL1F2
SCHEMBL155353 0.73 CA1 (0.68) ALDH1A1LMNAHTTL3MBTL1F2
Potassium SCHEMBL14988998 0.72 CA1 (0.66) ALDH1A1LMNAHTTL3MBTL1F2
SCHEMBL14988995 0.72 CA1 (0.66) ALDH1A1LMNAHTTL3MBTL1F2
Nitrogen SCHEMBL29022401 0.71 CA1 (0.64) ALDH1A1LMNAHTTL3MBTL1F2
SCHEMBL51894 0.70 ALDH1A1 (0.73) ALDH1A1LMNAHTTL3MBTL1CA1
SCHEMBL30427425 0.70 ALDH1A1 (0.73) ALDH1A1LMNAHTTL3MBTL1CA1

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