SCHEMBL2097965

SCHEMBL2097965

CCC(CC)(N(c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NOX1 Q9Y5S8 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA2 P00918 1/20 0.40
IDH1 O75874 3/20 0.38
HTT P42858 2/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38

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
SCHEMBL2098605 0.89 KDM4E (0.43) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL2099883 0.81 S1PR1 (0.31)
SCHEMBL1754307 0.80 MAPT (0.46) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2098958 0.80 MAPT (0.39) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2098962 0.78 CYP3A4 (0.38)
SCHEMBL2055448 0.78 MAPT (0.42) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2099846 0.77 CNR2 (0.38) RAB9ANPC1MEN1KMT2ANPSR1
SCHEMBL2099916 0.76 PLK1 (0.38) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2099401 0.76 DOT1L (0.38) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2098617 0.76 POLB (0.38) MEN1KMT2ATP53CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed