SCHEMBL13822847

SCHEMBL13822847

Cc1csc(C(=O)O)c1S(=O)(=O)N1CCc2nc(C(=O)Nc3ccccc3N)sc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
F2 P00734 1/20 0.37
F9 P00740 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
F7 P08709 1/20 0.37
PRSS3 P35030 1/20 0.37
GRM5 P41594 2/20 0.36

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
SCHEMBL13822818 0.85 F10 (0.42) F10NPC1RAB9AKMT2AGRM5
SCHEMBL976355 0.83 F10 (0.45) F10NPC1RAB9AKMT2AF2
SCHEMBL977701 0.82 NPC1 (0.55) F10NPC1RAB9AKMT2AGRM5
SCHEMBL976270 0.82 NPC1 (0.44) F10NPC1RAB9AKMT2A
SCHEMBL977873 0.81 TSHR (0.44) F10NPC1RAB9A
SCHEMBL978019 0.81 F10 (0.51) F10KMT2AF2F9PRSS1
SCHEMBL975334 0.80 GRM5 (0.55) F10NPC1RAB9AKMT2AGRM5
SCHEMBL976630 0.80 LMNA (0.42) F10F2F9PRSS1PRSS2
Sulfuric Acid SCHEMBL977462 0.79 F10 (0.49) F10KMT2AF2F9PRSS1
SCHEMBL975030 0.79 SMN1; SMN2 (0.47) F10KMT2AF2F9PRSS1

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
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed