SCHEMBL7475980

SCHEMBL7475980

N#Cc1cc(CN2CC[C@H](N(CC(=O)NCc3ccccc3)S(=O)(=O)c3cc(Cl)c(Cl)s3)C2=O)cs1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
F2 P00734 2/20 0.34
CMA1 P23946 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34
KLK6 Q92876 2/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PGGT1B P53609 2/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2330020 0.93 MAPT (0.36) F10CTSLCTSSF2GAA
SCHEMBL2331807 0.88 F10 (0.39) F10F2KLK6FNTAFNTB
SCHEMBL2330347 0.87 KLK6 (0.41) F10F2KLK6FNTAFNTB
Trifluoroacetic Acid SCHEMBL7421384 0.83 F2 (0.42) F10F2KLK6
SCHEMBL2326867 0.83 F10 (0.35) F10F2KLK6FNTAFNTB
SCHEMBL2329422 0.80 F10 (0.59) F10F2KLK6
SCHEMBL8425396 0.79 FNTA (0.43) F10F2FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL2333125 0.77 F10 (0.41) F10F2KLK6MAPT
SCHEMBL2329584 0.75 FNTA (0.44) F10F2KLK6FNTAFNTB
SCHEMBL8424475 0.74 GAA (0.35) F10F2GAATDP1MAPT

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
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed