SCHEMBL6985337

SCHEMBL6985337

Cn1cnc(S(=O)(=O)NC2(F)CCCN(c3ccc(-c4ccccc4)c(S(C)(=O)=O)c3)C2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CNR2 P34972 1/20 0.37
SLC6A9 P48067 4/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.34
MEN1 O00255 1/20 0.34
KCNH2 Q12809 1/20 0.33
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.32
F10 P00742 2/20 0.32
TRIM24 O15164 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL4680779 0.90 LMNA (0.39) LMNAKMT2AGAAPKMALDH1A1
SCHEMBL6989555 0.81 F10 (0.43) LMNAKMT2AGAAMEN1POLB
SCHEMBL6985663 0.81 F10 (0.45) LMNASLC6A9F10
SCHEMBL6985447 0.80 F10 (0.45) KMT2AMEN1F10
SCHEMBL6988024 0.80 F10 (0.45) LMNAKMT2AGAAMEN1POLB
SCHEMBL6980681 0.80 F10 (0.45) LMNAALDH1A1F10
SCHEMBL6989414 0.79 GHSR (0.39) PKMF10
SCHEMBL6990370 0.79 ALDH1A1 (0.36) LMNAGAAPKMALDH1A1F10
SCHEMBL6992512 0.79 F10 (0.46) CNR2F10
SCHEMBL6986546 0.79 F10 (0.42) F10

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-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed