SCHEMBL8764352

SCHEMBL8764352

O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
KDM4E B2RXH2 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL8764978 0.84 RECQL (0.46) CYP3A4CA1CA2L3MBTL1KMT2A
SCHEMBL8763331 0.82 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL8763338 0.81 SOS1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3254088 0.81 ALDH1A1 (0.59) NPC1ALDH1A1CYP3A4MAPK1PSEN1
SCHEMBL8764317 0.81 PLCG1 (0.67) CYP3A4CA1CA2CA12CA5A
SCHEMBL8764344 0.81 MMP1 (0.49) CA1CA2CA12CA9PLCG1
SCHEMBL6855152 0.81 ALDH1A1 (0.52) NPC1ALDH1A1CYP3A4CA1CA2
SCHEMBL8764348 0.81 SOD1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8764409 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4MAPK1CA2KMT2A
SCHEMBL8764400 0.80 PSIP1 (0.50) ALDH1A1KDM4ECA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606756-B1 Use of disulfonyl methanes for the control of parasites LILLY CO ELI (US) 1997-07-23 EP claimed
US-5614525-A ANTHELMINTICS ELI LILLY AND COMPANY (US) 1997-03-25 US claimed
US-5449681-A Administering by mouth or injection; anthelmintics, insecticides ELI LILLY AND COMPANY (US) 1995-09-12 US claimed
EP-0606756-A1 Use of disulfonyl methanes for the control of parasites ELI LILLY AND COMPANY (US) 1994-07-20 EP claimed
EP-0606756-B1 Use of disulfonyl methanes for the control of parasites LILLY CO ELI (US) 1997-07-23 EP disclosed
US-5637603-A FORMULATION WHICH PROTECTS VERTEBRATE ANIMALS AGAINST PARASITES ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
US-5614525-A ANTHELMINTICS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5596122-A INSECTICIDES AND LARVICIDES ELI LILLY AND COMPANY (US) 1997-01-21 US disclosed
US-5449681-A Administering by mouth or injection; anthelmintics, insecticides ELI LILLY AND COMPANY (US) 1995-09-12 US disclosed
EP-0606756-A1 Use of disulfonyl methanes for the control of parasites ELI LILLY AND COMPANY (US) 1994-07-20 EP disclosed