SCHEMBL4580127

SCHEMBL4580127

O=S(=O)(c1c(F)cccc1F)N1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 12/20 0.76
PKLR P30613 10/20 0.76
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL2239830 0.87 PKM (1.00) PKMPKLRPOLBNPC1RAB9A
SCHEMBL4555879 0.81 PKM (0.81) PKMPKLRTSHRSMN1; SMN2
SCHEMBL29518915 0.81 PKM (0.81) PKMPKLRTSHRSMN1; SMN2
SCHEMBL7305504 0.81 PKM (0.49) PKMPKLRTSHRSMN1; SMN2POLB
SCHEMBL3343329 0.81 PKM (0.58) PKMPKLRTSHRSMN1; SMN2POLB
SCHEMBL17808926 0.79 PKM (0.76) PKMPKLRTSHRTP53MAPT
SCHEMBL19871301 0.77 PKM (0.79) PKMPKLRPOLB
SCHEMBL17800942 0.75 PKM (0.74) PKMPKLRPOLBNPC1RAB9A
SCHEMBL29483599 0.75 PKM (0.66) PKMPKLRTSHRSMN1; SMN2POLB
SCHEMBL1722746 0.74 PKM (1.00) PKMPKLRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312349-A1 METHOD OF MAKING AND USING MEMBRANE GENERAL ELECTRIC COMPANY (US) 2008-12-18 US disclosed
US-20080203012-A1 MEMBRANE, APPARATUS, AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
US-20080207822-A1 COMPOSITION AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
WO-2008103599-A2 COMPOSITION, ITS USE IN THE PREPARATION OF MEMBRANES, AND SYSTEMS COMPRISING THE MEMBRANES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-08-28 WO disclosed