SCHEMBL6203398

SCHEMBL6203398

O=C(CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
HTT P42858 3/20 0.60
MAPT P10636 5/20 0.54
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 3/20 0.51
CCR9 P51686 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL27979 0.80 LMNA (0.83) LMNAHTTMAPTALDH1A1TP53
SCHEMBL28069398 0.80 RAB9A (0.49) LMNAHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL28006 0.79 LMNA (0.86) LMNAHTTMAPTALDH1A1TP53
SCHEMBL2080356 0.78 LMNA (0.61) LMNAHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL2528982 0.77 ITGA1 (0.69) LMNAHTTMAPTALDH1A1TP53
SCHEMBL2528312 0.77 LMNA (0.67) LMNAHTTMAPTALDH1A1TP53
SCHEMBL9853488 0.76 MAPT (0.63) LMNAHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL333291 0.76 MAPT (0.67) LMNAHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL31384417 0.76 MAPT (0.67) LMNAHTTMAPTALDH1A1SMN1; SMN2
SCHEMBL28518 0.76 LMNA (0.80) LMNAHTTMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US claimed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP claimed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO claimed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed