SCHEMBL5779487

SCHEMBL5779487

CC(C)(C)N(Cc1cccc(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
ACHE P22303 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
TSHR P16473 1/20 0.36
RPS6KA2 Q15349 2/20 0.36
GAA P10253 1/20 0.36
CA9 Q16790 1/20 0.35

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
SCHEMBL5784009 0.88 F10 (0.39) F10ACHEKMT2AMEN1NPC1
SCHEMBL5780091 0.88 F10 (0.48) F10ACHEKMT2AMEN1ALDH1A1
SCHEMBL5781766 0.85 F10 (0.50) F10ACHEKMT2AMEN1ALDH1A1
SCHEMBL5781951 0.84 F10 (0.51) F10ACHEKMT2AMEN1ALDH1A1
SCHEMBL5779457 0.83 F10 (0.50) F10ACHEKMT2AMEN1ALDH1A1
SCHEMBL5779884 0.83 F10 (0.40) F10KMT2AMEN1NPC1RAB9A
SCHEMBL5783337 0.83 F10 (0.43) F10KMT2AMEN1NPC1RAB9A
SCHEMBL6402784 0.83 F10 (0.52) F10ACHEKMT2AMEN1ALDH1A1
SCHEMBL3381035 0.82 F10 (0.51) F10ACHEKMT2AMEN1ALDH1A1
SCHEMBL6631939 0.82 F10 (0.45) F10ACHEKMT2AMEN1ALDH1A1

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-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 EP disclosed