SCHEMBL8349167

SCHEMBL8349167

CCCC(C(=O)I)c1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 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
SCHEMBL3871590 0.91 F10 (0.38) F10NPSR1PDE10ANPC1ALDH1A1
SCHEMBL13759435 0.88 NPSR1 (0.41) F10NPSR1L3MBTL1PDE10ANPC1
SCHEMBL3868438 0.78 F10 (0.40) F10NPSR1NPC1ALDH1A1RAB9A
SCHEMBL3868441 0.75 F10 (0.40) F10NPSR1NPC1ALDH1A1RAB9A
SCHEMBL3862457 0.75 F10 (0.53) F10
SCHEMBL8346424 0.74 SIRT2 (0.55) NPSR1L3MBTL1PDE10ANPC1ALDH1A1
SCHEMBL3864899 0.74 F10 (0.63) F10
SCHEMBL27605913 0.73 CA2 (0.46) F10NPSR1L3MBTL1NPC1ALDH1A1
SCHEMBL3863014 0.72 CSNK2A2 (0.49) F10NPSR1PDE10ANPC1ALDH1A1
SCHEMBL3861744 0.71 F10 (0.47) F10ALDH1A1KDM4EHPGDHSD17B10

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-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 — — WO disclosed
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