SCHEMBL5822958

SCHEMBL5822958

CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.72
▸ TP53 P04637 3/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ MEN1 O00255 2/20 0.65
▸ HTT P42858 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.61
▸ LMNA P02545 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61

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
SCHEMBL1268279 0.89 MAPT (0.85) MAPTTP53SMN1; SMN2MEN1HTT
SCHEMBL30445827 0.89 MAPT (0.65) MAPTTP53SMN1; SMN2MEN1HTT
SCHEMBL29373842 0.89 MAPT (0.65) MAPTTP53SMN1; SMN2MEN1HTT
SCHEMBL10063837 0.89 MAPT (0.65) MAPTTP53SMN1; SMN2MEN1HTT
SCHEMBL5818804 0.88 MAPT (0.56) MAPTTP53SMN1; SMN2MEN1HTT
SCHEMBL5822835 0.87 MAPT (0.58) MAPTTP53SMN1; SMN2MEN1HTT
SCHEMBL13679611 0.84 MEN1 (0.74) MAPTTP53MEN1HTTKMT2A
SCHEMBL13679601 0.83 MAPT (0.82) MAPTTP53MEN1HTTKMT2A
SCHEMBL12831265 0.82 MAPT (0.73) MAPTTP53MEN1HTTKMT2A
SCHEMBL14642442 0.81 MEN1 (0.79) MAPTTP53MEN1HTTKMT2A

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-2006124780-A2 IH-BENZO [D] IMIDAZOLE COMPOUNDS AS INHIBITORS OF B-RAF KINASE KALYPSYS, INC. (US) 2006-11-23 — — WO disclosed
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