SCHEMBL5332269

SCHEMBL5332269

CC(C)(C)N1C(=O)C(NCCOC2CN(C(=O)O)C2)=C(c2ccccc2)S1(O)O.CC(C)(C)OC(=O)N1CC(OCCN)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
USP30 Q70CQ3 8/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
TACR1 P25103 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
ACKR3 P25106 3/20 0.33
GABRA5 P31644 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
RORC P51449 1/20 0.31

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
SCHEMBL1996473 0.93 NAMPT (0.39) NAMPTUSP30PRMT5WDR77TACR1
SCHEMBL5332275 0.92 NR1H2 (0.39) NAMPTUSP30PRMT5WDR77TACR1
SCHEMBL2007872 0.90 NR1H2 (0.35) NAMPT
SCHEMBL1996471 0.85 NR1H2 (0.43) NAMPTUSP30PRMT5WDR77TACR1
SCHEMBL2006144 0.82 NAMPT (0.44) NAMPTUSP30TACR1KDM4EPKM
SCHEMBL2007867 0.81 NR1H2 (0.46) NAMPT
SCHEMBL2006147 0.74 NAMPT (0.44) NAMPTUSP30TACR1KDM4EPKM
SCHEMBL2004758 0.73 NR1H2 (0.35) USP30KDM4EPKM
SCHEMBL2001032 0.72 ALDH1A1 (0.47) USP30KDM4EPKM
SCHEMBL24458928 0.70 NR1H2 (0.49) NAMPTPRMT5WDR77RORC

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-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed